A1DAY
Summary
| Name: | (8S)-3-(6-butyl-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine |
| Formula: | C17 H16 N4 S |
| Formal charge: | 0 |
| Formula weight: | 308.401 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (8S)-3-(6-butyl-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine |
| OpenEye OEToolkits | 3.1.0.0 | 6-butyl-2-pyrazolo[1,5-a]pyrimidin-3-yl-1,3-benzothiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CCCCc1ccc2nc(sc2c1)c1cnn2cccnc21 |
| InChI | InChI | 1.06 | InChI=1S/C17H16N4S/c1-2-3-5-12-6-7-14-15(10-12)22-17(20-14)13-11-19-21-9-4-8-18-16(13)21/h4,6-11H,2-3,5H2,1H3 |
| InChIKey | InChI | 1.06 | MPHXQBLGFPDSDO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCc1ccc2nc(sc2c1)c3cnn4cccnc34 |
| SMILES | CACTVS | 3.385 | CCCCc1ccc2nc(sc2c1)c3cnn4cccnc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCCCc1ccc2c(c1)sc(n2)c3cnn4c3nccc4 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCCCc1ccc2c(c1)sc(n2)c3cnn4c3nccc4 |
