methyl 4-[(2-methylsulfanyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(2-methylsulfanyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)methyl]benzoate Openeye Name: methyl 4-[(2-methylsulfanyl-6-oxo-4-phenyl-pyrimidin-1-yl)methyl]benzoate CAS Name: 4-[[2-(methylthio)-6-oxo-4-phenyl-1-pyrimidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-methylsulfanyl-6-oxo-4-phenylpyrimidin-1-yl)methyl]benzoate Traditional Name: 4-[[6-keto-2-(methylthio)-4-phenyl-pyrimidin-1-yl]methyl]benzoic acid methyl ester Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C(=O)C=C(N=C2SC)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C(=O)C=C(N=C2SC)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O3S/c1-25-19(24)16-10-8-14(9-11-16)13-22-18(23)12-17(21-20(22)26-2)15-6-4-3-5-7-15/h3-12H,13H2,1-2H3