(phenylmethyl) 2-[(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: benzyl 2-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[(5-ethyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetic acid benzyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SCC(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)SCC(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C16H18N2O3S/c1-3-13-11(2)17-16(18-15(13)20)22-10-14(19)21-9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,17,18,20)