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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SCC(=O)OCC2=CC=CC=C2)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SCC(=O)OCC2=CC=CC=C2)C)CC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O3S/c1-16-19(13-17-9-5-3-6-10-17)21(26)24(2)22(23-16)28-15-20(25)27-14-18-11-7-4-8-12-18/h3-12H,13-15H2,1-2H3