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

Systemtic Name: 2-[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanyl-1-propyl-pyrimidin-4-one Openeye Name: 2-[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-6-hydroxy-1-propyl-pyrimidin-4-one CAS Name: 2-[[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-6-hydroxy-1-propyl-4-pyrimidinone IUPAC Name: 2-[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-6-hydroxy-1-propylpyrimidin-4-one Traditional Name: 2-[[2-[1-(4-fluorobenzyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]thio]-6-hydroxy-1-propyl-pyrimidin-4-one Formula: C22H24FN3O3S MolecularWeight: 429.507663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=O)N=C1SCC(=O)C2=C(N(C(=C2)C)CC3=CC=C(C=C3)F)C)O

Isomeric SMILES

CCCN1C(=CC(=O)N=C1SCC(=O)C2=C(N(C(=C2)C)CC3=CC=C(C=C3)F)C)O

InChI

InChI=1S/C22H24FN3O3S/c1-4-9-25-21(29)11-20(28)24-22(25)30-13-19(27)18-10-14(2)26(15(18)3)12-16-5-7-17(23)8-6-16/h5-8,10-11,29H,4,9,12-13H2,1-3H3