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

Systemtic Name: 3-(ethylcarbamoyl)-4-methyl-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid Openeye Name: 3-(ethylcarbamoyl)-4-methyl-6-(3-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid CAS Name: 3-(ethylcarbamoyl)-4-methyl-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid IUPAC Name: 3-(ethylcarbamoyl)-4-methyl-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid Traditional Name: 3-(ethylcarbamoyl)-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:

CCNC(=O)N1C(=C(C(NC1=S)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CCNC(=O)N1C(=C(C(NC1=S)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C15H16N4O5S/c1-3-16-14(22)18-8(2)11(13(20)21)12(17-15(18)25)9-5-4-6-10(7-9)19(23)24/h4-7,12H,3H2,1-2H3,(H,16,22)(H,17,25)(H,20,21)