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

Systemtic Name: ethyl 4-[[6-oxidanylidene-4-phenyl-2-(phenylmethylsulfanyl)pyrimidin-1-yl]methyl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C27H24N2O3S MolecularWeight: 456.55606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24N2O3S/c1-2-32-26(31)23-15-13-20(14-16-23)18-29-25(30)17-24(22-11-7-4-8-12-22)28-27(29)33-19-21-9-5-3-6-10-21/h3-17H,2,18-19H2,1H3