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

Systemtic Name: methyl 3-cyclopropyl-4-methyl-6-(3-nitro-4-oxidanyl-phenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2CC2)C3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1C2CC2)C3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H17N3O5S/c1-8-13(15(21)24-2)14(17-16(25)18(8)10-4-5-10)9-3-6-12(20)11(7-9)19(22)23/h3,6-7,10,14,20H,4-5H2,1-2H3,(H,17,25)