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

Systemtic Name: 5-cyano-6-methyl-2-oxidanylidene-4-(3-thiophen-3-ylphenyl)-1,4-dihydropyrimidine-3-carboxylic acid Openeye Name: 5-cyano-6-methyl-2-oxo-4-[3-(3-thienyl)phenyl]-1,4-dihydropyrimidine-3-carboxylic acid CAS Name: 5-cyano-6-methyl-2-oxo-4-[3-(3-thiophenyl)phenyl]-1,4-dihydropyrimidine-3-carboxylic acid IUPAC Name: 5-cyano-6-methyl-2-oxo-4-(3-thiophen-3-ylphenyl)-1,4-dihydropyrimidine-3-carboxylic acid Traditional Name: 5-cyano-2-keto-6-methyl-4-[3-(3-thienyl)phenyl]-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=CC(=C2)C3=CSC=C3)C#N

Isomeric SMILES

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

InChI

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