QJZ
Summary
| Name: | N-{6-[2-(methylsulfanyl)pyrimidin-4-yl]-1,3-benzothiazol-2-yl}acetamide |
| Formula: | C14 H12 N4 O S2 |
| Formal charge: | 0 |
| Formula weight: | 316.401 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-{6-[2-(methylsulfanyl)pyrimidin-4-yl]-1,3-benzothiazol-2-yl}acetamide |
| OpenEye OEToolkits | 1.7.0 | N-[6-(2-methylsulfanylpyrimidin-4-yl)-1,3-benzothiazol-2-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1nc2ccc(cc2s1)c3nc(SC)ncc3)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CSc1nccc(n1)c2ccc3nc(NC(C)=O)sc3c2 |
| SMILES | CACTVS | 3.370 | CSc1nccc(n1)c2ccc3nc(NC(C)=O)sc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(=O)Nc1nc2ccc(cc2s1)c3ccnc(n3)SC |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(=O)Nc1nc2ccc(cc2s1)c3ccnc(n3)SC |
| InChI | InChI | 1.03 | InChI=1S/C14H12N4OS2/c1-8(19)16-14-18-11-4-3-9(7-12(11)21-14)10-5-6-15-13(17-10)20-2/h3-7H,1-2H3,(H,16,18,19) |
| InChIKey | InChI | 1.03 | UJBQBHAEDABZIB-UHFFFAOYSA-N |
