A1BCN
Summary
| Name: | N-(4-oxo-1,4-dihydropyrimidin-2-yl)-1,3-thiazole-2-carboxamide |
| Formula: | C8 H6 N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 222.224 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-(4-oxo-1,4-dihydropyrimidin-2-yl)-1,3-thiazole-2-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-(4-oxidanylidene-1~{H}-pyrimidin-2-yl)-1,3-thiazole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(NC1=NC(=O)C=CN1)c1nccs1 |
| InChI | InChI | 1.06 | InChI=1S/C8H6N4O2S/c13-5-1-2-10-8(11-5)12-6(14)7-9-3-4-15-7/h1-4H,(H2,10,11,12,13,14) |
| InChIKey | InChI | 1.06 | KPMWYHPSMHMGDR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NC1=NC(=O)C=CN1)c2sccn2 |
| SMILES | CACTVS | 3.385 | O=C(NC1=NC(=O)C=CN1)c2sccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1csc(n1)C(=O)NC2=NC(=O)C=CN2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1csc(n1)C(=O)NC2=NC(=O)C=CN2 |
