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

Systemtic Name: propan-2-yl 4-[[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]methyl]benzoate Openeye Name: isopropyl 4-[(2-benzylsulfanyl-4-methyl-6-oxo-pyrimidin-1-yl)methyl]benzoate CAS Name: 4-[[4-methyl-6-oxo-2-(phenylmethylthio)-1-pyrimidinyl]methyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(2-benzylsulfanyl-4-methyl-6-oxopyrimidin-1-yl)methyl]benzoate Traditional Name: 4-[[2-(benzylthio)-6-keto-4-methyl-pyrimidin-1-yl]methyl]benzoic acid isopropyl ester Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)OC(C)C

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)OC(C)C

InChI

InChI=1S/C23H24N2O3S/c1-16(2)28-22(27)20-11-9-18(10-12-20)14-25-21(26)13-17(3)24-23(25)29-15-19-7-5-4-6-8-19/h4-13,16H,14-15H2,1-3H3