A1ARL
Summary
| Name: | N-(2-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula: | C12 H10 Cl N5 |
| Formal charge: | 0 |
| Formula weight: | 259.694 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(2-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(2-chlorophenyl)-1-methyl-pyrazolo[3,4-d]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccccc1Nc1ncnc2c1cnn2C |
| InChI | InChI | 1.06 | InChI=1S/C12H10ClN5/c1-18-12-8(6-16-18)11(14-7-15-12)17-10-5-3-2-4-9(10)13/h2-7H,1H3,(H,14,15,17) |
| InChIKey | InChI | 1.06 | NCHJVZNFNABCPE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ncc2c(Nc3ccccc3Cl)ncnc12 |
| SMILES | CACTVS | 3.385 | Cn1ncc2c(Nc3ccccc3Cl)ncnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c2c(cn1)c(ncn2)Nc3ccccc3Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c2c(cn1)c(ncn2)Nc3ccccc3Cl |
