CAS No.: 50892-23-4 — Pirinixic acid (WY-14643)

1. Primary Information

English name:	Pirinixic acid
CAS No.:	50892-23-4
Molecular formula:	C₁₄H₁₄ClN₃O₂S
Molecular weight:	323.8 g/mol
SMILES:	CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SCC(=O)O)Cl)C
Structural class:
Other identifiers:	(4-chloro-6-(2,3-xylidino)-2-pyrimidinylthio)acetic acid 4-chloro-6-(2,3-dimethylphenyl)amino-2-pyrimidinylthioacetic acid 4-chloro-6-(2,3-xylidinyl)-2-pyrimidinylthioacetic acid CXPTA pirinixic acid

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	10mg	98%	120	-20℃	in stock	-
Kehua Intelligence	50mg	98%	280	-20℃	in stock	-
Kehua Intelligence	250mg	98%	472	-20℃	in stock	-
Kehua Intelligence	1g	98%	1120	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 35 36 0 0 0 0 0 0 0999 V2000 2.8921 4.5068 0.5275 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3682 -0.5995 -0.5798 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2609 -4.3222 -0.3169 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3117 -3.3618 -0.1244 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1877 1.5221 -0.0892 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9882 0.5804 -0.3077 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9326 1.9746 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2733 0.2979 -0.4265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0435 0.4405 0.2159 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1035 -0.7781 -0.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6438 -0.4929 1.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7039 -1.7116 0.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7048 1.2974 -1.4535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4739 -1.5689 1.4862 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4252 -0.9543 -0.7855 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 1.6634 -0.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7296 2.9192 0.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3157 0.8037 -0.2687 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1061 3.0158 0.2108 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3511 -1.9694 0.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0915 -3.2630 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6962 -0.3988 1.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6597 2.3323 -0.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3379 -2.5561 1.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0633 2.2078 -0.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8758 1.5558 -2.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4964 0.9381 -2.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1636 -2.2944 2.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0437 -0.0571 -0.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2905 -1.1880 -1.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9935 -1.7807 -0.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0929 3.7755 0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4218 -2.0130 -0.5364 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1248 -1.8368 1.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7565 -5.1615 -0.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 18 1 0 0 0 0 2 20 1 0 0 0 0 3 21 1 0 0 0 0 3 35 1 0 0 0 0 4 21 2 0 0 0 0 5 9 1 0 0 0 0 5 16 1 0 0 0 0 5 23 1 0 0 0 0 6 16 1 0 0 0 0 6 18 2 0 0 0 0 7 18 1 0 0 0 0 7 19 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 13 1 0 0 0 0 9 11 2 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 11 14 1 0 0 0 0 11 22 1 0 0 0 0 12 14 2 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 17 19 1 0 0 0 0 17 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanylacetic acid

4.2 InChI

InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)