2-[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-[1-(4-fluorobenzyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]thio]-6-propyl-1H-pyrimidin-4-one Formula: C22H24FN3O2S MolecularWeight: 413.508263

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=C(N(C(=C2)C)CC3=CC=C(C=C3)F)C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=C(N(C(=C2)C)CC3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H24FN3O2S/c1-4-5-18-11-21(28)25-22(24-18)29-13-20(27)19-10-14(2)26(15(19)3)12-16-6-8-17(23)9-7-16/h6-11H,4-5,12-13H2,1-3H3,(H,24,25,28)