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

Systemtic Name: 5-[(1-methyl-2-oxidanylidene-pyridin-4-yl)methyl]-2-(9-phenylnonylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 5-[(1-methyl-2-oxo-4-pyridyl)methyl]-2-(9-phenylnonylsulfanyl)-1H-pyrimidin-6-one CAS Name: 5-[(1-methyl-2-oxo-4-pyridinyl)methyl]-2-(9-phenylnonylthio)-1H-pyrimidin-6-one IUPAC Name: 5-[(1-methyl-2-oxopyridin-4-yl)methyl]-2-(9-phenylnonylsulfanyl)-1H-pyrimidin-6-one Traditional Name: 5-[(2-keto-1-methyl-4-pyridyl)methyl]-2-(9-phenylnonylthio)-1H-pyrimidin-6-one Formula: C26H33N3O2S MolecularWeight: 451.62412

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=CC1=O)CC2=CN=C(NC2=O)SCCCCCCCCCC3=CC=CC=C3

Isomeric SMILES

CN1C=CC(=CC1=O)CC2=CN=C(NC2=O)SCCCCCCCCCC3=CC=CC=C3

InChI

InChI=1S/C26H33N3O2S/c1-29-16-15-22(19-24(29)30)18-23-20-27-26(28-25(23)31)32-17-11-6-4-2-3-5-8-12-21-13-9-7-10-14-21/h7,9-10,13-16,19-20H,2-6,8,11-12,17-18H2,1H3,(H,27,28,31)