J9B
Summary
| Name: | 2-chloranyl-9-[(3-chlorophenyl)methyl]-~{N}-methyl-purin-6-amine |
| Formula: | C13 H11 Cl2 N5 |
| Formal charge: | 0 |
| Formula weight: | 308.166 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-chloranyl-9-[(3-chlorophenyl)methyl]-~{N}-methyl-purin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H11Cl2N5/c1-16-11-10-12(19-13(15)18-11)20(7-17-10)6-8-3-2-4-9(14)5-8/h2-5,7H,6H2,1H3,(H,16,18,19) |
| InChIKey | InChI | 1.06 | HBDBUHLHHMNOIL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1nc(Cl)nc2n(Cc3cccc(Cl)c3)cnc12 |
| SMILES | CACTVS | 3.385 | CNc1nc(Cl)nc2n(Cc3cccc(Cl)c3)cnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNc1c2c(nc(n1)Cl)n(cn2)Cc3cccc(c3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNc1c2c(nc(n1)Cl)n(cn2)Cc3cccc(c3)Cl |
