5-[(6-methylpyridin-3-yl)methyl]-2-(6-phenylhexylsulfanyl)-1H-pyrimidin-6-one

Systemtic Name: 5-[(6-methylpyridin-3-yl)methyl]-2-(6-phenylhexylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 5-[(6-methyl-3-pyridyl)methyl]-2-(6-phenylhexylsulfanyl)-1H-pyrimidin-6-one CAS Name: 5-[(6-methyl-3-pyridinyl)methyl]-2-(6-phenylhexylthio)-1H-pyrimidin-6-one IUPAC Name: 5-[(6-methylpyridin-3-yl)methyl]-2-(6-phenylhexylsulfanyl)-1H-pyrimidin-6-one Traditional Name: 5-[(6-methyl-3-pyridyl)methyl]-2-(6-phenylhexylthio)-1H-pyrimidin-6-one Formula: C23H27N3OS MolecularWeight: 393.54498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)SCCCCCCC3=CC=CC=C3

Isomeric SMILES

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)SCCCCCCC3=CC=CC=C3

InChI

InChI=1S/C23H27N3OS/c1-18-12-13-20(16-24-18)15-21-17-25-23(26-22(21)27)28-14-8-3-2-5-9-19-10-6-4-7-11-19/h4,6-7,10-13,16-17H,2-3,5,8-9,14-15H2,1H3,(H,25,26,27)