(phenylmethyl) 2-(4-ethyl-1-methyl-6-oxidanylidene-pyrimidin-2-yl)sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-(4-ethyl-1-methyl-6-oxidanylidene-pyrimidin-2-yl)sulfanylethanoate Openeye Name: benzyl 2-(4-ethyl-1-methyl-6-oxo-pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4-ethyl-1-methyl-6-oxo-2-pyrimidinyl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4-ethyl-6-keto-1-methyl-pyrimidin-2-yl)thio]acetic acid benzyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N(C(=N1)SCC(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CCC1=CC(=O)N(C(=N1)SCC(=O)OCC2=CC=CC=C2)C

InChI

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