5-[8-(4-fluorophenyl)-8-oxidanylidene-octyl]sulfanyl-2-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 5-[8-(4-fluorophenyl)-8-oxidanylidene-octyl]sulfanyl-2-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 5-[8-(4-fluorophenyl)-8-oxo-octyl]sulfanyl-2-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 5-[[8-(4-fluorophenyl)-8-oxooctyl]thio]-2-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 5-[8-(4-fluorophenyl)-8-oxooctyl]sulfanyl-2-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 5-[[8-(4-fluorophenyl)-8-keto-octyl]thio]-2-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C24H26FN3O2S MolecularWeight: 439.545543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=NC=C(C(=O)N2)SCCCCCCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC(=CN=C1)CC2=NC=C(C(=O)N2)SCCCCCCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H26FN3O2S/c25-20-11-9-19(10-12-20)21(29)8-4-2-1-3-5-14-31-22-17-27-23(28-24(22)30)15-18-7-6-13-26-16-18/h6-7,9-13,16-17H,1-5,8,14-15H2,(H,27,28,30)