5-[(1-methyl-2-oxidanylidene-pyridin-4-yl)methyl]-2-(7-phenylheptylsulfanyl)-1H-pyrimidin-6-one

Systemtic Name: 5-[(1-methyl-2-oxidanylidene-pyridin-4-yl)methyl]-2-(7-phenylheptylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 5-[(1-methyl-2-oxo-4-pyridyl)methyl]-2-(7-phenylheptylsulfanyl)-1H-pyrimidin-6-one CAS Name: 5-[(1-methyl-2-oxo-4-pyridinyl)methyl]-2-(7-phenylheptylthio)-1H-pyrimidin-6-one IUPAC Name: 5-[(1-methyl-2-oxopyridin-4-yl)methyl]-2-(7-phenylheptylsulfanyl)-1H-pyrimidin-6-one Traditional Name: 5-[(2-keto-1-methyl-4-pyridyl)methyl]-2-(7-phenylheptylthio)-1H-pyrimidin-6-one Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=CC1=O)CC2=CN=C(NC2=O)SCCCCCCCC3=CC=CC=C3

Isomeric SMILES

CN1C=CC(=CC1=O)CC2=CN=C(NC2=O)SCCCCCCCC3=CC=CC=C3

InChI

InChI=1S/C24H29N3O2S/c1-27-14-13-20(17-22(27)28)16-21-18-25-24(26-23(21)29)30-15-9-4-2-3-6-10-19-11-7-5-8-12-19/h5,7-8,11-14,17-18H,2-4,6,9-10,15-16H2,1H3,(H,25,26,29)