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

Systemtic Name: (phenylmethyl) 2-[5-[(4-fluorophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanylethanoate Openeye Name: benzyl 2-[5-[(4-fluorophenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[5-[(4-fluorophenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[5-[(4-fluorophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[5-(4-fluorobenzyl)-6-keto-1,4-dimethyl-pyrimidin-2-yl]thio]acetic acid benzyl ester Formula: C22H21FN2O3S MolecularWeight: 412.477143

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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=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C22H21FN2O3S/c1-15-19(12-16-8-10-18(23)11-9-16)21(27)25(2)22(24-15)29-14-20(26)28-13-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3