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

Systemtic Name: methyl 4-[[2-[(2-chlorophenyl)methylsulfanyl]-6-oxidanylidene-4-phenyl-pyrimidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[2-[(2-chlorophenyl)methylsulfanyl]-6-oxo-4-phenyl-pyrimidin-1-yl]methyl]benzoate CAS Name: 4-[[2-[(2-chlorophenyl)methylthio]-6-oxo-4-phenyl-1-pyrimidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(2-chlorophenyl)methylsulfanyl]-6-oxo-4-phenylpyrimidin-1-yl]methyl]benzoate Traditional Name: 4-[[2-[(2-chlorobenzyl)thio]-6-keto-4-phenyl-pyrimidin-1-yl]methyl]benzoic acid methyl ester Formula: C26H21ClN2O3S MolecularWeight: 476.97454

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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=C3Cl)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3Cl)C4=CC=CC=C4

InChI

InChI=1S/C26H21ClN2O3S/c1-32-25(31)20-13-11-18(12-14-20)16-29-24(30)15-23(19-7-3-2-4-8-19)28-26(29)33-17-21-9-5-6-10-22(21)27/h2-15H,16-17H2,1H3