6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid

Systemtic Name: 6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid Openeye Name: 6-methyl-4-(3-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylic acid CAS Name: 6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid IUPAC Name: 6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid Traditional Name: 6-methyl-4-(3-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylic acid Formula: C13H11N3O6S MolecularWeight: 337.30794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O6S/c1-6-9(11(17)18)10(15(13(19)20)12(23)14-6)7-3-2-4-8(5-7)16(21)22/h2-5,10H,1H3,(H,14,23)(H,17,18)(H,19,20)