JJM
Summary
| Name: | 1-methyl-N-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula: | C13 H13 N5 |
| Formal charge: | 0 |
| Formula weight: | 239.276 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-methyl-N-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| OpenEye OEToolkits | 2.0.6 | 1-methyl-~{N}-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c32c(Nc1cccc(C)c1)ncnc2n(nc3)C |
| InChI | InChI | 1.03 | InChI=1S/C13H13N5/c1-9-4-3-5-10(6-9)17-12-11-7-16-18(2)13(11)15-8-14-12/h3-8H,1-2H3,(H,14,15,17) |
| InChIKey | InChI | 1.03 | MLUHWTUFJZKUST-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ncc2c(Nc3cccc(C)c3)ncnc12 |
| SMILES | CACTVS | 3.385 | Cn1ncc2c(Nc3cccc(C)c3)ncnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cccc(c1)Nc2c3cnn(c3ncn2)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cccc(c1)Nc2c3cnn(c3ncn2)C |
