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

Systemtic Name: 3-(dimethylcarbamoyl)-4-methyl-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid Openeye Name: 3-(dimethylcarbamoyl)-4-methyl-6-(3-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid CAS Name: 3-[dimethylamino(oxo)methyl]-4-methyl-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid IUPAC Name: 3-(dimethylcarbamoyl)-4-methyl-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid Traditional Name: 3-(dimethylcarbamoyl)-4-methyl-6-(3-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid Formula: C15H16N4O5S MolecularWeight: 364.37634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C(=O)N(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(NC(=S)N1C(=O)N(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H16N4O5S/c1-8-11(13(20)21)12(9-5-4-6-10(7-9)19(23)24)16-14(25)18(8)15(22)17(2)3/h4-7,12H,1-3H3,(H,16,25)(H,20,21)