IYQ
Summary
| Name: | 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzamide |
| 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 | 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H13ClN6O/c1-17-12-10-13(20-14(15)19-12)21(7-18-10)6-8-3-2-4-9(5-8)11(16)22/h2-5,7H,6H2,1H3,(H2,16,22)(H,17,19,20) |
| InChIKey | InChI | 1.06 | DMZNZMOMVYHSJJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1nc(Cl)nc2n(Cc3cccc(c3)C(N)=O)cnc12 |
| SMILES | CACTVS | 3.385 | CNc1nc(Cl)nc2n(Cc3cccc(c3)C(N)=O)cnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNc1c2c(nc(n1)Cl)n(cn2)Cc3cccc(c3)C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNc1c2c(nc(n1)Cl)n(cn2)Cc3cccc(c3)C(=O)N |
