5-[(1-methyl-2-oxidanylidene-pyridin-4-yl)methyl]-2-(8-phenyloctylsulfanyl)-1H-pyrimidin-6-one

Systemtic Name: 5-[(1-methyl-2-oxidanylidene-pyridin-4-yl)methyl]-2-(8-phenyloctylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 5-[(1-methyl-2-oxo-4-pyridyl)methyl]-2-(8-phenyloctylsulfanyl)-1H-pyrimidin-6-one CAS Name: 5-[(1-methyl-2-oxo-4-pyridinyl)methyl]-2-(8-phenyloctylthio)-1H-pyrimidin-6-one IUPAC Name: 5-[(1-methyl-2-oxopyridin-4-yl)methyl]-2-(8-phenyloctylsulfanyl)-1H-pyrimidin-6-one Traditional Name: 5-[(2-keto-1-methyl-4-pyridyl)methyl]-2-(8-phenyloctylthio)-1H-pyrimidin-6-one Formula: C25H31N3O2S MolecularWeight: 437.59754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=CC1=O)CC2=CN=C(NC2=O)SCCCCCCCCC3=CC=CC=C3

Isomeric SMILES

CN1C=CC(=CC1=O)CC2=CN=C(NC2=O)SCCCCCCCCC3=CC=CC=C3

InChI

InChI=1S/C25H31N3O2S/c1-28-15-14-21(18-23(28)29)17-22-19-26-25(27-24(22)30)31-16-10-5-3-2-4-7-11-20-12-8-6-9-13-20/h6,8-9,12-15,18-19H,2-5,7,10-11,16-17H2,1H3,(H,26,27,30)