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

Systemtic Name: (4R)-N-(3,4-dimethylphenyl)-6-methyl-4-(3-nitro-4-oxidanyl-phenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: (4R)-N-(3,4-dimethylphenyl)-4-(4-hydroxy-3-nitro-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: (4R)-N-(3,4-dimethylphenyl)-4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: (4R)-N-(3,4-dimethylphenyl)-4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: (4R)-N-(3,4-dimethylphenyl)-4-(4-hydroxy-3-nitro-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4S/c1-10-4-6-14(8-11(10)2)22-19(26)17-12(3)21-20(29)23-18(17)13-5-7-16(25)15(9-13)24(27)28/h4-9,18,25H,1-3H3,(H,22,26)(H2,21,23,29)/t18-/m1/s1