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

Systemtic Name: (phenylmethyl) 2-[1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxidanylidene-pyrimidin-2-yl]sulfanylethanoate Openeye Name: benzyl 2-[1,4-dimethyl-5-(m-tolylmethyl)-6-oxo-pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxo-2-pyrimidinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxopyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[6-keto-1,4-dimethyl-5-(3-methylbenzyl)pyrimidin-2-yl]thio]acetic acid benzyl 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)SCC(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC=C1)CC2=C(N=C(N(C2=O)C)SCC(=O)OCC3=CC=CC=C3)C

InChI

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