A0C
Summary
| Name: | 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]isoxazole-3-carboxamide |
| Formula: | C11 H12 N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 264.304 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-1,2-oxazole-3-carboxamide |
| OpenEye OEToolkits | 1.7.6 | 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,2-oxazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1noc(c1)CSc2nc(cc(n2)C)C)N |
| InChI | InChI | 1.03 | InChI=1S/C11H12N4O2S/c1-6-3-7(2)14-11(13-6)18-5-8-4-9(10(12)16)15-17-8/h3-4H,5H2,1-2H3,(H2,12,16) |
| InChIKey | InChI | 1.03 | LDIXARLLVUNHKY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(C)nc(SCc2onc(c2)C(N)=O)n1 |
| SMILES | CACTVS | 3.385 | Cc1cc(C)nc(SCc2onc(c2)C(N)=O)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(nc(n1)SCc2cc(no2)C(=O)N)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(nc(n1)SCc2cc(no2)C(=O)N)C |
