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

Systemtic Name: 6-methyl-3-morpholin-4-ylcarbonyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 6-methyl-3-(morpholine-4-carbonyl)-4-(3-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 6-methyl-3-[4-morpholinyl(oxo)methyl]-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 6-methyl-3-(morpholine-4-carbonyl)-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 6-methyl-3-(morpholine-4-carbonyl)-4-(3-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid Formula: C17H18N4O6S MolecularWeight: 406.41302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=S)N1)C(=O)N2CCOCC2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=S)N1)C(=O)N2CCOCC2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H18N4O6S/c1-10-13(15(22)23)14(11-3-2-4-12(9-11)21(25)26)20(16(28)18-10)17(24)19-5-7-27-8-6-19/h2-4,9,14H,5-8H2,1H3,(H,18,28)(H,22,23)