5-[(4-fluorophenyl)methyl]-2-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3,6-dimethyl-pyrimidin-4-one

Systemtic Name: 5-[(4-fluorophenyl)methyl]-2-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3,6-dimethyl-pyrimidin-4-one Openeye Name: 5-[(4-fluorophenyl)methyl]-2-[2-(3-methoxyphenyl)-2-oxo-ethyl]sulfanyl-3,6-dimethyl-pyrimidin-4-one CAS Name: 5-[(4-fluorophenyl)methyl]-2-[[2-(3-methoxyphenyl)-2-oxoethyl]thio]-3,6-dimethyl-4-pyrimidinone IUPAC Name: 5-[(4-fluorophenyl)methyl]-2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-3,6-dimethylpyrimidin-4-one Traditional Name: 5-(4-fluorobenzyl)-2-[[2-keto-2-(3-methoxyphenyl)ethyl]thio]-3,6-dimethyl-pyrimidin-4-one Formula: C22H21FN2O3S MolecularWeight: 412.477143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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