GQ6
Summary
| Name: | 6-chloranyl-9-[(4-methylphenyl)methyl]purin-2-amine |
| Formula: | C13 H12 Cl N5 |
| Formal charge: | 0 |
| Formula weight: | 273.721 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-chloranyl-9-[(4-methylphenyl)methyl]purin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H12ClN5/c1-8-2-4-9(5-3-8)6-19-7-16-10-11(14)17-13(15)18-12(10)19/h2-5,7H,6H2,1H3,(H2,15,17,18) |
| InChIKey | InChI | 1.03 | HKQJORIVDVAGIN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(Cn2cnc3c(Cl)nc(N)nc23)cc1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(Cn2cnc3c(Cl)nc(N)nc23)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)Cn2cnc3c2nc(nc3Cl)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)Cn2cnc3c2nc(nc3Cl)N |
