methyl (4R)-6-methyl-4-[4-[methyl(phenyl)amino]-3-nitro-phenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4R)-6-methyl-4-[4-[methyl(phenyl)amino]-3-nitro-phenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4R)-6-methyl-4-[4-(N-methylanilino)-3-nitro-phenyl]-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-methyl-4-[4-(N-methylanilino)-3-nitrophenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4R)-6-methyl-4-[4-(N-methylanilino)-3-nitrophenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-methyl-4-[4-(N-methylanilino)-3-nitro-phenyl]-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)N(C)C3=CC=CC=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1)C2=CC(=C(C=C2)N(C)C3=CC=CC=C3)[N+](=O)[O-])C(=O)OC

InChI

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