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

Systemtic Name: propan-2-yl 4-[[6-oxidanylidene-4-phenyl-2-(phenylmethylsulfanyl)pyrimidin-1-yl]methyl]benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C28H26N2O3S MolecularWeight: 470.58264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26N2O3S/c1-20(2)33-27(32)24-15-13-21(14-16-24)18-30-26(31)17-25(23-11-7-4-8-12-23)29-28(30)34-19-22-9-5-3-6-10-22/h3-17,20H,18-19H2,1-2H3