A1C15
Summary
| Name: | methyl 2-[(8R)-pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-benzothiazole-6-carboxylate |
| Formula: | C15 H10 N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 310.331 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | methyl 2-[(8R)-pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-benzothiazole-6-carboxylate |
| OpenEye OEToolkits | 3.1.0.0 | methyl 2-pyrazolo[1,5-a]pyrimidin-3-yl-1,3-benzothiazole-6-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(OC)c1ccc2nc(sc2c1)c1cnn2cccnc21 |
| InChI | InChI | 1.06 | InChI=1S/C15H10N4O2S/c1-21-15(20)9-3-4-11-12(7-9)22-14(18-11)10-8-17-19-6-2-5-16-13(10)19/h2-8H,1H3 |
| InChIKey | InChI | 1.06 | FWGOLGYKBZCRKS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1ccc2nc(sc2c1)c3cnn4cccnc34 |
| SMILES | CACTVS | 3.385 | COC(=O)c1ccc2nc(sc2c1)c3cnn4cccnc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COC(=O)c1ccc2c(c1)sc(n2)c3cnn4c3nccc4 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COC(=O)c1ccc2c(c1)sc(n2)c3cnn4c3nccc4 |
