2-methylsulfanylethyl (4R)-4-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-methylsulfanylethyl (4R)-4-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-methylsulfanylethyl (4R)-4-(4-hydroxy-3-methoxy-5-nitro-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl (4R)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(4-hydroxy-3-methoxy-5-nitro-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(methylthio)ethyl ester Formula: C16H19N3O7S MolecularWeight: 397.40296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-])C(=O)OCCSC

Isomeric SMILES

CC1=C([C@H](NC(=O)N1)C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-])C(=O)OCCSC

InChI

InChI=1S/C16H19N3O7S/c1-8-12(15(21)26-4-5-27-3)13(18-16(22)17-8)9-6-10(19(23)24)14(20)11(7-9)25-2/h6-7,13,20H,4-5H2,1-3H3,(H2,17,18,22)/t13-/m1/s1