A1BYW
Summary
| Name: | 2-[(8R)-pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-benzothiazol-6-ol |
| Formula: | C13 H8 N4 O S |
| Formal charge: | 0 |
| Formula weight: | 268.294 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-[(8R)-pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-benzothiazol-6-ol |
| OpenEye OEToolkits | 3.1.0.0 | 2-pyrazolo[1,5-a]pyrimidin-3-yl-1,3-benzothiazol-6-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Oc1ccc2nc(sc2c1)c1cnn2cccnc21 |
| InChI | InChI | 1.06 | InChI=1S/C13H8N4OS/c18-8-2-3-10-11(6-8)19-13(16-10)9-7-15-17-5-1-4-14-12(9)17/h1-7,18H |
| InChIKey | InChI | 1.06 | NZNYDSCZDDLISB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc2nc(sc2c1)c3cnn4cccnc34 |
| SMILES | CACTVS | 3.385 | Oc1ccc2nc(sc2c1)c3cnn4cccnc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cnc2c(cnn2c1)c3nc4ccc(cc4s3)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cnc2c(cnn2c1)c3nc4ccc(cc4s3)O |
