methyl 3-[[5-[(3-fluorophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[5-[(3-fluorophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[5-[(3-fluorophenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[5-[(3-fluorophenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[5-[(3-fluorophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[5-(3-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(=C2)C(=O)OC)C)CC3=CC(=CC=C3)F

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SCC2=CC=CC(=C2)C(=O)OC)C)CC3=CC(=CC=C3)F

InChI

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