methyl 3-[[1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxidanylidene-pyrimidin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxidanylidene-pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[1,4-dimethyl-5-(m-tolylmethyl)-6-oxo-pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxo-2-pyrimidinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxopyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[6-keto-1,4-dimethyl-5-(3-methylbenzyl)pyrimidin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2=C(N=C(N(C2=O)C)SCC3=CC=CC(=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC=C1)CC2=C(N=C(N(C2=O)C)SCC3=CC=CC(=C3)C(=O)OC)C

InChI

InChI=1S/C23H24N2O3S/c1-15-7-5-8-17(11-15)13-20-16(2)24-23(25(3)21(20)26)29-14-18-9-6-10-19(12-18)22(27)28-4/h5-12H,13-14H2,1-4H3