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

Systemtic Name: 5-[(1-methyl-2-oxidanylidene-pyridin-4-yl)methyl]-2-(6-phenylhexylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 5-[(1-methyl-2-oxo-4-pyridyl)methyl]-2-(6-phenylhexylsulfanyl)-1H-pyrimidin-6-one CAS Name: 5-[(1-methyl-2-oxo-4-pyridinyl)methyl]-2-(6-phenylhexylthio)-1H-pyrimidin-6-one IUPAC Name: 5-[(1-methyl-2-oxopyridin-4-yl)methyl]-2-(6-phenylhexylsulfanyl)-1H-pyrimidin-6-one Traditional Name: 5-[(2-keto-1-methyl-4-pyridyl)methyl]-2-(6-phenylhexylthio)-1H-pyrimidin-6-one Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=CC1=O)CC2=CN=C(NC2=O)SCCCCCCC3=CC=CC=C3

Isomeric SMILES

CN1C=CC(=CC1=O)CC2=CN=C(NC2=O)SCCCCCCC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O2S/c1-26-13-12-19(16-21(26)27)15-20-17-24-23(25-22(20)28)29-14-8-3-2-5-9-18-10-6-4-7-11-18/h4,6-7,10-13,16-17H,2-3,5,8-9,14-15H2,1H3,(H,24,25,28)