IU2
Summary
| Name: | 2-chloranyl-~{N}-methyl-9-phenyl-purin-6-amine |
| Formula: | C12 H10 Cl N5 |
| Formal charge: | 0 |
| Formula weight: | 259.694 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-chloranyl-~{N}-methyl-9-phenyl-purin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H10ClN5/c1-14-10-9-11(17-12(13)16-10)18(7-15-9)8-5-3-2-4-6-8/h2-7H,1H3,(H,14,16,17) |
| InChIKey | InChI | 1.06 | YNMRSDJKIQHBFT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1nc(Cl)nc2n(cnc12)c3ccccc3 |
| SMILES | CACTVS | 3.385 | CNc1nc(Cl)nc2n(cnc12)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNc1c2c(nc(n1)Cl)n(cn2)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNc1c2c(nc(n1)Cl)n(cn2)c3ccccc3 |
