methyl 3-methyl-6-(4-nitrophenyl)-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 3-methyl-6-(4-nitrophenyl)-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-methyl-6-(4-nitrophenyl)-4-propyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-methyl-6-(4-nitrophenyl)-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-methyl-6-(4-nitrophenyl)-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-methyl-6-(4-nitrophenyl)-4-propyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1C)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCCC1=C(C(NC(=S)N1C)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H19N3O4S/c1-4-5-12-13(15(20)23-3)14(17-16(24)18(12)2)10-6-8-11(9-7-10)19(21)22/h6-9,14H,4-5H2,1-3H3,(H,17,24)