6-methyl-3-[methyl(phenyl)carbamoyl]-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 6-methyl-3-[methyl(phenyl)carbamoyl]-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 6-methyl-3-[methyl(phenyl)carbamoyl]-4-(3-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 6-methyl-3-[(N-methylanilino)-oxomethyl]-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 6-methyl-3-[methyl(phenyl)carbamoyl]-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 6-methyl-3-[methyl(phenyl)carbamoyl]-4-(3-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O5S/c1-12-16(18(25)26)17(13-7-6-10-15(11-13)24(28)29)23(19(30)21-12)20(27)22(2)14-8-4-3-5-9-14/h3-11,17H,1-2H3,(H,21,30)(H,25,26)