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

Systemtic Name: (phenylmethyl) 2-(1-methyl-6-oxidanylidene-4-propan-2-yl-pyrimidin-2-yl)sulfanylethanoate Openeye Name: benzyl 2-(4-isopropyl-1-methyl-6-oxo-pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(1-methyl-6-oxo-4-propan-2-yl-2-pyrimidinyl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(1-methyl-6-oxo-4-propan-2-ylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4-isopropyl-6-keto-1-methyl-pyrimidin-2-yl)thio]acetic acid benzyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)N(C(=N1)SCC(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CC(C)C1=CC(=O)N(C(=N1)SCC(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C17H20N2O3S/c1-12(2)14-9-15(20)19(3)17(18-14)23-11-16(21)22-10-13-7-5-4-6-8-13/h4-9,12H,10-11H2,1-3H3