IVI
Summary
| Name: | 2-[2-chloranyl-6-(methylamino)purin-9-yl]-~{N}-phenyl-ethanamide |
| Formula: | C14 H13 Cl N6 O |
| Formal charge: | 0 |
| Formula weight: | 316.746 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[2-chloranyl-6-(methylamino)purin-9-yl]-~{N}-phenyl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H13ClN6O/c1-16-12-11-13(20-14(15)19-12)21(8-17-11)7-10(22)18-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,18,22)(H,16,19,20) |
| InChIKey | InChI | 1.06 | GCGVASUGIMXBIJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1nc(Cl)nc2n(CC(=O)Nc3ccccc3)cnc12 |
| SMILES | CACTVS | 3.385 | CNc1nc(Cl)nc2n(CC(=O)Nc3ccccc3)cnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNc1c2c(nc(n1)Cl)n(cn2)CC(=O)Nc3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNc1c2c(nc(n1)Cl)n(cn2)CC(=O)Nc3ccccc3 |
