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

Systemtic Name: 2-[[2-oxidanylidene-1-(phenylmethyl)pyridin-4-yl]methyl]-5-(8-phenyloctylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 2-[(1-benzyl-2-oxo-4-pyridyl)methyl]-5-(8-phenyloctylsulfanyl)-1H-pyrimidin-6-one CAS Name: 2-[[2-oxo-1-(phenylmethyl)-4-pyridinyl]methyl]-5-(8-phenyloctylthio)-1H-pyrimidin-6-one IUPAC Name: 2-[(1-benzyl-2-oxopyridin-4-yl)methyl]-5-(8-phenyloctylsulfanyl)-1H-pyrimidin-6-one Traditional Name: 2-[(1-benzyl-2-keto-4-pyridyl)methyl]-5-(8-phenyloctylthio)-1H-pyrimidin-6-one Formula: C31H35N3O2S MolecularWeight: 513.6935

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCSC2=CN=C(NC2=O)CC3=CC(=O)N(C=C3)CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCSC2=CN=C(NC2=O)CC3=CC(=O)N(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C31H35N3O2S/c35-30-22-27(18-19-34(30)24-26-16-10-6-11-17-26)21-29-32-23-28(31(36)33-29)37-20-12-4-2-1-3-7-13-25-14-8-5-9-15-25/h5-6,8-11,14-19,22-23H,1-4,7,12-13,20-21,24H2,(H,32,33,36)