methyl 4-[[1,4-dimethyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[1,4-dimethyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[(5-benzyl-1,4-dimethyl-6-oxo-pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[[1,4-dimethyl-6-oxo-5-(phenylmethyl)-2-pyrimidinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(5-benzyl-6-keto-1,4-dimethyl-pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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