X2Z
Summary
| Name: | ~{N}7-(phenylmethyl)-~{N}5-[(3~{S})-piperidin-3-yl]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidine-5,7-diamine |
| Formula: | C21 H28 N6 |
| Formal charge: | 0 |
| Formula weight: | 364.487 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}7-(phenylmethyl)-~{N}5-[(3~{S})-piperidin-3-yl]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidine-5,7-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H28N6/c1-15(2)18-14-24-27-20(23-12-16-7-4-3-5-8-16)11-19(26-21(18)27)25-17-9-6-10-22-13-17/h3-5,7-8,11,14-15,17,22-23H,6,9-10,12-13H2,1-2H3,(H,25,26)/t17-/m0/s1 |
| InChIKey | InChI | 1.06 | HVPAERPIODSNPK-KRWDZBQOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@H]4CCCNC4)nc12 |
| SMILES | CACTVS | 3.385 | CC(C)c1cnn2c(NCc3ccccc3)cc(N[CH]4CCCNC4)nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)c1cnn2c1nc(cc2NCc3ccccc3)N[C@H]4CCCNC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NC4CCCNC4 |
