(4R)-4-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: (4R)-4-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: (4R)-4-(4-hydroxy-3-methoxy-5-nitro-phenyl)-6-methyl-N-(p-tolyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: (4R)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: (4R)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: (4R)-4-(4-hydroxy-3-methoxy-5-nitro-phenyl)-6-methyl-N-(p-tolyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(NC(=S)NC2C3=CC(=C(C(=C3)OC)O)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(NC(=S)N[C@@H]2C3=CC(=C(C(=C3)OC)O)[N+](=O)[O-])C

InChI

InChI=1S/C20H20N4O5S/c1-10-4-6-13(7-5-10)22-19(26)16-11(2)21-20(30)23-17(16)12-8-14(24(27)28)18(25)15(9-12)29-3/h4-9,17,25H,1-3H3,(H,22,26)(H2,21,23,30)/t17-/m1/s1