A1ISQ
Summary
| Name: | 3-(1H-indol-6-yl)-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula: | C19 H21 N7 |
| Formal charge: | 0 |
| Formula weight: | 347.417 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(1~{H}-indol-6-yl)-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H21N7/c1-25-8-5-14(6-9-25)26-19-16(18(20)22-11-23-19)17(24-26)13-3-2-12-4-7-21-15(12)10-13/h2-4,7,10-11,14,21H,5-6,8-9H2,1H3,(H2,20,22,23) |
| InChIKey | InChI | 1.06 | XWRZTNJWUCCXRZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCC(CC1)n2nc(c3ccc4cc[nH]c4c3)c5c(N)ncnc25 |
| SMILES | CACTVS | 3.385 | CN1CCC(CC1)n2nc(c3ccc4cc[nH]c4c3)c5c(N)ncnc25 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCC(CC1)n2c3c(c(n2)c4ccc5cc[nH]c5c4)c(ncn3)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCC(CC1)n2c3c(c(n2)c4ccc5cc[nH]c5c4)c(ncn3)N |
