I82
Summary
| Name: | ~{N}-methyl-3-phenyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine |
| Formula: | C12 H11 N5 |
| Formal charge: | 0 |
| Formula weight: | 225.249 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-methyl-3-phenyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H11N5/c1-13-12-11-10(14-7-15-12)9(16-17-11)8-5-3-2-4-6-8/h2-7H,1H3,(H,16,17)(H,13,14,15) |
| InChIKey | InChI | 1.06 | XIEMFNUUOUPBSW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1ncnc2c([nH]nc12)c3ccccc3 |
| SMILES | CACTVS | 3.385 | CNc1ncnc2c([nH]nc12)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNc1c2c(c([nH]n2)c3ccccc3)ncn1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNc1c2c(c([nH]n2)c3ccccc3)ncn1 |
