5-cyano-6-methyl-2-oxidanylidene-4-(4-phenylthiophen-2-yl)-1,4-dihydropyrimidine-3-carboxylic acid

Systemtic Name: 5-cyano-6-methyl-2-oxidanylidene-4-(4-phenylthiophen-2-yl)-1,4-dihydropyrimidine-3-carboxylic acid Openeye Name: 5-cyano-6-methyl-2-oxo-4-(4-phenyl-2-thienyl)-1,4-dihydropyrimidine-3-carboxylic acid CAS Name: 5-cyano-6-methyl-2-oxo-4-(4-phenyl-2-thiophenyl)-1,4-dihydropyrimidine-3-carboxylic acid IUPAC Name: 5-cyano-6-methyl-2-oxo-4-(4-phenylthiophen-2-yl)-1,4-dihydropyrimidine-3-carboxylic acid Traditional Name: 5-cyano-2-keto-6-methyl-4-(4-phenyl-2-thienyl)-1,4-dihydropyrimidine-3-carboxylic acid Formula: C17H13N3O3S MolecularWeight: 339.36842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)C(=O)O)C2=CC(=CS2)C3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C(C(N(C(=O)N1)C(=O)O)C2=CC(=CS2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C17H13N3O3S/c1-10-13(8-18)15(20(17(22)23)16(21)19-10)14-7-12(9-24-14)11-5-3-2-4-6-11/h2-7,9,15H,1H3,(H,19,21)(H,22,23)