A1ISV
Summary
| Name: | 4-quinolin-8-yl-1H-pyrazolo[3,4-d]pyrimidin-6-amine |
| Formula: | C14 H10 N6 |
| Formal charge: | 0 |
| Formula weight: | 262.269 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-quinolin-8-yl-1~{H}-pyrazolo[3,4-d]pyrimidin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H10N6/c15-14-18-12(10-7-17-20-13(10)19-14)9-5-1-3-8-4-2-6-16-11(8)9/h1-7H,(H3,15,17,18,19,20) |
| InChIKey | InChI | 1.06 | AQECLDMGKPHFHU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc2[nH]ncc2c(n1)c3cccc4cccnc34 |
| SMILES | CACTVS | 3.385 | Nc1nc2[nH]ncc2c(n1)c3cccc4cccnc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2cccnc2c(c1)c3c4cn[nH]c4nc(n3)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2cccnc2c(c1)c3c4cn[nH]c4nc(n3)N |
