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

Systemtic Name: propan-2-yl 4-[(2-methylsulfanyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)methyl]benzoate Openeye Name: isopropyl 4-[(2-methylsulfanyl-6-oxo-4-phenyl-pyrimidin-1-yl)methyl]benzoate CAS Name: 4-[[2-(methylthio)-6-oxo-4-phenyl-1-pyrimidinyl]methyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(2-methylsulfanyl-6-oxo-4-phenylpyrimidin-1-yl)methyl]benzoate Traditional Name: 4-[[6-keto-2-(methylthio)-4-phenyl-pyrimidin-1-yl]methyl]benzoic acid isopropyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)CN2C(=O)C=C(N=C2SC)C3=CC=CC=C3

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)CN2C(=O)C=C(N=C2SC)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O3S/c1-15(2)27-21(26)18-11-9-16(10-12-18)14-24-20(25)13-19(23-22(24)28-3)17-7-5-4-6-8-17/h4-13,15H,14H2,1-3H3