404
Summary
| Name: | (2R)-2-{[7-(benzylamino)-3-(propan-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]amino}butan-1-ol |
| Formula: | C19 H26 N6 O |
| Formal charge: | 0 |
| Formula weight: | 354.449 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2-{[7-(benzylamino)-3-(propan-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]amino}butan-1-ol |
| OpenEye OEToolkits | 1.7.0 | (2R)-2-[[7-(phenylmethylamino)-3-propan-2-yl-1H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]butan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(c2c(nc1NC(CC)CO)c(nn2)C(C)C)NCc3ccccc3 |
| SMILES_CANONICAL | CACTVS | 3.370 | CC[C@H](CO)Nc1nc(NCc2ccccc2)c3[nH]nc(C(C)C)c3n1 |
| SMILES | CACTVS | 3.370 | CC[CH](CO)Nc1nc(NCc2ccccc2)c3[nH]nc(C(C)C)c3n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC[C@H](CO)Nc1nc2c(c(n1)NCc3ccccc3)[nH]nc2C(C)C |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCC(CO)Nc1nc2c(c(n1)NCc3ccccc3)[nH]nc2C(C)C |
| InChI | InChI | 1.03 | InChI=1S/C19H26N6O/c1-4-14(11-26)21-19-22-16-15(12(2)3)24-25-17(16)18(23-19)20-10-13-8-6-5-7-9-13/h5-9,12,14,26H,4,10-11H2,1-3H3,(H,24,25)(H2,20,21,22,23)/t14-/m1/s1 |
| InChIKey | InChI | 1.03 | AOPRHEOJTUWSAR-CQSZACIVSA-N |
