ITJ
Summary
| Name: | 5-chloranyl-~{N},3-dimethyl-1~{H}-pyrazolo[4,3-d]pyrimidin-7-amine |
| Formula: | C7 H8 Cl N5 |
| Formal charge: | 0 |
| Formula weight: | 197.625 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-chloranyl-~{N},3-dimethyl-1~{H}-pyrazolo[4,3-d]pyrimidin-7-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H8ClN5/c1-3-4-5(13-12-3)6(9-2)11-7(8)10-4/h1-2H3,(H,12,13)(H,9,10,11) |
| InChIKey | InChI | 1.06 | VTSIEWHGNUJVTJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1nc(Cl)nc2c(C)n[nH]c12 |
| SMILES | CACTVS | 3.385 | CNc1nc(Cl)nc2c(C)n[nH]c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c2c(c(nc(n2)Cl)NC)[nH]n1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c2c(c(nc(n2)Cl)NC)[nH]n1 |
