A1C9V
Summary
| Name: | (8S)-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]pyrazolo[1,5-a]pyrimidine |
| Formula: | C16 H14 N4 S |
| Formal charge: | 0 |
| Formula weight: | 294.374 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (8S)-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]pyrazolo[1,5-a]pyrimidine |
| OpenEye OEToolkits | 3.1.0.0 | 6-propan-2-yl-2-pyrazolo[1,5-a]pyrimidin-3-yl-1,3-benzothiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(C)c1ccc2nc(sc2c1)c1cnn2cccnc21 |
| InChI | InChI | 1.06 | InChI=1S/C16H14N4S/c1-10(2)11-4-5-13-14(8-11)21-16(19-13)12-9-18-20-7-3-6-17-15(12)20/h3-10H,1-2H3 |
| InChIKey | InChI | 1.06 | HCYJQCVFHNLVBV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1ccc2nc(sc2c1)c3cnn4cccnc34 |
| SMILES | CACTVS | 3.385 | CC(C)c1ccc2nc(sc2c1)c3cnn4cccnc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(C)c1ccc2c(c1)sc(n2)c3cnn4c3nccc4 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)c1ccc2c(c1)sc(n2)c3cnn4c3nccc4 |
