R4U
Summary
| Name: | ~{N}4-cyclohexyl-2~{H}-pyrazolo[3,4-d]pyrimidine-4,6-diamine |
| Formula: | C11 H16 N6 |
| Formal charge: | 0 |
| Formula weight: | 232.285 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}4-cyclohexyl-2~{H}-pyrazolo[3,4-d]pyrimidine-4,6-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H16N6/c12-11-15-9(8-6-13-17-10(8)16-11)14-7-4-2-1-3-5-7/h6-7H,1-5H2,(H4,12,13,14,15,16,17) |
| InChIKey | InChI | 1.06 | IQIULFHBHXKBGP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(NC2CCCCC2)c3c[nH]nc3n1 |
| SMILES | CACTVS | 3.385 | Nc1nc(NC2CCCCC2)c3c[nH]nc3n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c2c(nc(nc2NC3CCCCC3)N)n[nH]1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c2c(nc(nc2NC3CCCCC3)N)n[nH]1 |
