NZU
Summary
| Name: | 6-(2H-indazol-4-yl)-1-methyl-N-[3-(methylsulfonyl)propyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula: | C17 H19 N7 O2 S |
| Formal charge: | 0 |
| Formula weight: | 385.443 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-(2H-indazol-4-yl)-1-methyl-N-[3-(methylsulfonyl)propyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| OpenEye OEToolkits | 1.7.0 | 6-(2H-indazol-4-yl)-1-methyl-N-(3-methylsulfonylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(C)CCCNc1nc(nc2c1cnn2C)c3cccc4nncc34 |
| SMILES_CANONICAL | CACTVS | 3.370 | Cn1ncc2c(NCCC[S](C)(=O)=O)nc(nc12)c3cccc4n[nH]cc34 |
| SMILES | CACTVS | 3.370 | Cn1ncc2c(NCCC[S](C)(=O)=O)nc(nc12)c3cccc4n[nH]cc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cn1c2c(cn1)c(nc(n2)c3cccc4c3c[nH]n4)NCCCS(=O)(=O)C |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cn1c2c(cn1)c(nc(n2)c3cccc4c3c[nH]n4)NCCCS(=O)(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C17H19N7O2S/c1-24-17-13(10-20-24)15(18-7-4-8-27(2,25)26)21-16(22-17)11-5-3-6-14-12(11)9-19-23-14/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,19,23)(H,18,21,22) |
| InChIKey | InChI | 1.03 | YZTXAMRYFBNCHP-UHFFFAOYSA-N |
