5-[[2-oxidanylidene-1-(phenylmethyl)pyridin-4-yl]methyl]-2-(9-phenylnonylsulfanyl)-1H-pyrimidin-6-one

Systemtic Name: 5-[[2-oxidanylidene-1-(phenylmethyl)pyridin-4-yl]methyl]-2-(9-phenylnonylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 5-[(1-benzyl-2-oxo-4-pyridyl)methyl]-2-(9-phenylnonylsulfanyl)-1H-pyrimidin-6-one CAS Name: 5-[[2-oxo-1-(phenylmethyl)-4-pyridinyl]methyl]-2-(9-phenylnonylthio)-1H-pyrimidin-6-one IUPAC Name: 5-[(1-benzyl-2-oxopyridin-4-yl)methyl]-2-(9-phenylnonylsulfanyl)-1H-pyrimidin-6-one Traditional Name: 5-[(1-benzyl-2-keto-4-pyridyl)methyl]-2-(9-phenylnonylthio)-1H-pyrimidin-6-one Formula: C32H37N3O2S MolecularWeight: 527.72008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCCSC2=NC=C(C(=O)N2)CC3=CC(=O)N(C=C3)CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCCSC2=NC=C(C(=O)N2)CC3=CC(=O)N(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C32H37N3O2S/c36-30-23-28(19-20-35(30)25-27-17-11-7-12-18-27)22-29-24-33-32(34-31(29)37)38-21-13-5-3-1-2-4-8-14-26-15-9-6-10-16-26/h6-7,9-12,15-20,23-24H,1-5,8,13-14,21-22,25H2,(H,33,34,37)