A1AU4
Summary
| Name: | (7P,8S)-3-cyclohexyl-7-(3-methylpyridin-2-yl)pyrazolo[1,5-a]pyrimidine |
| Formula: | C18 H20 N4 |
| Formal charge: | 0 |
| Formula weight: | 292.378 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (7P,8S)-3-cyclohexyl-7-(3-methylpyridin-2-yl)pyrazolo[1,5-a]pyrimidine |
| OpenEye OEToolkits | 2.0.7 | 3-cyclohexyl-7-(3-methylpyridin-2-yl)pyrazolo[1,5-a]pyrimidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1cccnc1c1ccnc2c(cnn12)C1CCCCC1 |
| InChI | InChI | 1.06 | InChI=1S/C18H20N4/c1-13-6-5-10-19-17(13)16-9-11-20-18-15(12-21-22(16)18)14-7-3-2-4-8-14/h5-6,9-12,14H,2-4,7-8H2,1H3 |
| InChIKey | InChI | 1.06 | PHPCKQQVZNFUQL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccnc1c2ccnc3n2ncc3C4CCCCC4 |
| SMILES | CACTVS | 3.385 | Cc1cccnc1c2ccnc3n2ncc3C4CCCCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cccnc1c2ccnc3n2ncc3C4CCCCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccnc1c2ccnc3n2ncc3C4CCCCC4 |
