ethyl 3-cyclopropyl-4-methyl-6-(3-nitro-4-oxidanyl-phenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-cyclopropyl-4-methyl-6-(3-nitro-4-oxidanyl-phenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-cyclopropyl-6-(4-hydroxy-3-nitro-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-cyclopropyl-6-(4-hydroxy-3-nitrophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-cyclopropyl-6-(4-hydroxy-3-nitrophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-cyclopropyl-6-(4-hydroxy-3-nitro-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC(=C(C=C2)O)[N+](=O)[O-])C3CC3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)NC1C2=CC(=C(C=C2)O)[N+](=O)[O-])C3CC3)C

InChI

InChI=1S/C17H19N3O5S/c1-3-25-16(22)14-9(2)19(11-5-6-11)17(26)18-15(14)10-4-7-13(21)12(8-10)20(23)24/h4,7-8,11,15,21H,3,5-6H2,1-2H3,(H,18,26)