1. Primary Information
| English name: | 2(1H)-Pyrimidinone, 1-[(2S)-2-hydroxy-3-(triphenylmethoxy)propyl]-4-[[(4-methoxyphenyl)diphenylmethyl]amino]- |
| CAS No.: | 864068-43-9 |
| Molecular formula: | C46H41N3O4 |
| Molecular weight: | 699.8 g/mol |
| SMILES: | COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC(=O)N(C=C4)CC(COC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | 98% | 1360 | -20℃ | in stock | - |
| Kehua Intelligence | 250mg | 98% | 2280 | -20℃ | in stock | - |
| Kehua Intelligence | 1g | 98% | 4560 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
1-[(2S)-2-hydroxy-3-trityloxypropyl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one
4.2 InChI
InChI=1S/C46H41N3O4/c1-52-42-29-27-37(28-30-42)45(35-17-7-2-8-18-35,36-19-9-3-10-20-36)48-43-31-32-49(44(51)47-43)33-41(50)34-53-46(38-21-11-4-12-22-38,39-23-13-5-14-24-39)40-25-15-6-16-26-40/h2-32,41,50H,33-34H2,1H3,(H,47,48,51)/t41-/m0/s1
4.3 InChIKey
ZNDQQDSBCHUHCL-RWYGWLOXSA-N
4.4 Canonical SMILES
COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC(=O)N(C=C4)CC(COC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)O
4.5 Isomeric SMILES
COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC(=O)N(C=C4)C[C@@H](COC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)O
