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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SCC2=CC=CC=C2C(=O)OC)C)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SCC2=CC=CC=C2C(=O)OC)C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H21FN2O3S/c1-14-19(12-15-8-10-17(23)11-9-15)20(26)25(2)22(24-14)29-13-16-6-4-5-7-18(16)21(27)28-3/h4-11H,12-13H2,1-3H3