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

Systemtic Name: methyl 4-[[6-oxidanylidene-4-phenyl-2-(phenylmethylsulfanyl)pyrimidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[(2-benzylsulfanyl-6-oxo-4-phenyl-pyrimidin-1-yl)methyl]benzoate CAS Name: 4-[[6-oxo-4-phenyl-2-(phenylmethylthio)-1-pyrimidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-benzylsulfanyl-6-oxo-4-phenylpyrimidin-1-yl)methyl]benzoate Traditional Name: 4-[[2-(benzylthio)-6-keto-4-phenyl-pyrimidin-1-yl]methyl]benzoic acid methyl ester Formula: C26H22N2O3S MolecularWeight: 442.52948

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H22N2O3S/c1-31-25(30)22-14-12-19(13-15-22)17-28-24(29)16-23(21-10-6-3-7-11-21)27-26(28)32-18-20-8-4-2-5-9-20/h2-16H,17-18H2,1H3