3-(4-methoxyphenyl)carbonyl-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 3-(4-methoxyphenyl)carbonyl-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 3-(4-methoxybenzoyl)-6-methyl-4-(3-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 3-[(4-methoxyphenyl)-oxomethyl]-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 3-(4-methoxybenzoyl)-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 6-methyl-4-(3-nitrophenyl)-3-p-anisoyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid Formula: C20H17N3O6S MolecularWeight: 427.43048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=S)N1)C(=O)C2=CC=C(C=C2)OC)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=S)N1)C(=O)C2=CC=C(C=C2)OC)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H17N3O6S/c1-11-16(19(25)26)17(13-4-3-5-14(10-13)23(27)28)22(20(30)21-11)18(24)12-6-8-15(29-2)9-7-12/h3-10,17H,1-2H3,(H,21,30)(H,25,26)