dimethyl 6-[1-(4-methylphenyl)-2-methylsulfanyl-6-oxidanylidene-4-phenyl-pyrimidin-5-yl]cyclohexa-1,3-diene-1,2-dicarboxylate

Systemtic Name: dimethyl 6-[1-(4-methylphenyl)-2-methylsulfanyl-6-oxidanylidene-4-phenyl-pyrimidin-5-yl]cyclohexa-1,3-diene-1,2-dicarboxylate Openeye Name: dimethyl 6-[2-methylsulfanyl-6-oxo-4-phenyl-1-(p-tolyl)pyrimidin-5-yl]cyclohexa-1,3-diene-1,2-dicarboxylate CAS Name: 6-[1-(4-methylphenyl)-2-(methylthio)-6-oxo-4-phenyl-5-pyrimidinyl]cyclohexa-1,3-diene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 6-[1-(4-methylphenyl)-2-methylsulfanyl-6-oxo-4-phenylpyrimidin-5-yl]cyclohexa-1,3-diene-1,2-dicarboxylate Traditional Name: 6-[6-keto-2-(methylthio)-4-phenyl-1-(p-tolyl)pyrimidin-5-yl]cyclohexa-1,3-diene-1,2-dicarboxylic acid dimethyl ester Formula: C28H26N2O5S MolecularWeight: 502.58144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=C(N=C2SC)C3=CC=CC=C3)C4CC=CC(=C4C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=C(N=C2SC)C3=CC=CC=C3)C4CC=CC(=C4C(=O)OC)C(=O)OC

InChI

InChI=1S/C28H26N2O5S/c1-17-13-15-19(16-14-17)30-25(31)23(24(29-28(30)36-4)18-9-6-5-7-10-18)20-11-8-12-21(26(32)34-2)22(20)27(33)35-3/h5-10,12-16,20H,11H2,1-4H3