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

Systemtic Name: methyl 4-[[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]methyl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3S/c1-15-12-19(24)23(13-16-8-10-18(11-9-16)20(25)26-2)21(22-15)27-14-17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3