6-methyl-4-[6-[4-[(E)-2-phenylethenyl]phenoxy]hexylsulfanyl]-1H-pyrimidin-2-one

Systemtic Name: 6-methyl-4-[6-[4-[(E)-2-phenylethenyl]phenoxy]hexylsulfanyl]-1H-pyrimidin-2-one Openeye Name: 6-methyl-4-[6-[4-[(E)-styryl]phenoxy]hexylsulfanyl]-1H-pyrimidin-2-one CAS Name: 6-methyl-4-[6-[4-[(E)-2-phenylethenyl]phenoxy]hexylthio]-1H-pyrimidin-2-one IUPAC Name: 6-methyl-4-[6-[4-[(E)-2-phenylethenyl]phenoxy]hexylsulfanyl]-1H-pyrimidin-2-one Traditional Name: 6-methyl-4-[6-[4-[(E)-styryl]phenoxy]hexylthio]-1H-pyrimidin-2-one Formula: C25H28N2O2S MolecularWeight: 420.56702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=O)N1)SCCCCCCOC2=CC=C(C=C2)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC(=O)N1)SCCCCCCOC2=CC=C(C=C2)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H28N2O2S/c1-20-19-24(27-25(28)26-20)30-18-8-3-2-7-17-29-23-15-13-22(14-16-23)12-11-21-9-5-4-6-10-21/h4-6,9-16,19H,2-3,7-8,17-18H2,1H3,(H,26,27,28)/b12-11+