P2V
Summary
| Name: | ~{N}-[(2-phenylphenyl)methyl]-5-piperidin-4-ylsulfanyl-3-propan-2-yl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine |
| Formula: | C26 H30 N6 S |
| Formal charge: | 0 |
| Formula weight: | 458.622 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-[(2-phenylphenyl)methyl]-5-piperidin-4-ylsulfanyl-3-propan-2-yl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C26H30N6S/c1-17(2)22-23-24(32-31-22)25(30-26(29-23)33-20-12-14-27-15-13-20)28-16-19-10-6-7-11-21(19)18-8-4-3-5-9-18/h3-11,17,20,27H,12-16H2,1-2H3,(H,31,32)(H,28,29,30) |
| InChIKey | InChI | 1.06 | JSWSIHXBXVQRFW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1[nH]nc2c(NCc3ccccc3c4ccccc4)nc(SC5CCNCC5)nc12 |
| SMILES | CACTVS | 3.385 | CC(C)c1[nH]nc2c(NCc3ccccc3c4ccccc4)nc(SC5CCNCC5)nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(C)c1c2c(c(nc(n2)SC3CCNCC3)NCc4ccccc4c5ccccc5)n[nH]1 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)c1c2c(c(nc(n2)SC3CCNCC3)NCc4ccccc4c5ccccc5)n[nH]1 |
