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

Systemtic Name: 5-[(1-methyl-2-oxidanylidene-pyridin-4-yl)methyl]-2-(6-phenylmethoxyhexylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 2-(6-benzyloxyhexylsulfanyl)-5-[(1-methyl-2-oxo-4-pyridyl)methyl]-1H-pyrimidin-6-one CAS Name: 5-[(1-methyl-2-oxo-4-pyridinyl)methyl]-2-(6-phenylmethoxyhexylthio)-1H-pyrimidin-6-one IUPAC Name: 5-[(1-methyl-2-oxopyridin-4-yl)methyl]-2-(6-phenylmethoxyhexylsulfanyl)-1H-pyrimidin-6-one Traditional Name: 2-(6-benzoxyhexylthio)-5-[(2-keto-1-methyl-4-pyridyl)methyl]-1H-pyrimidin-6-one Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=CC1=O)CC2=CN=C(NC2=O)SCCCCCCOCC3=CC=CC=C3

Isomeric SMILES

CN1C=CC(=CC1=O)CC2=CN=C(NC2=O)SCCCCCCOCC3=CC=CC=C3

InChI

InChI=1S/C24H29N3O3S/c1-27-12-11-20(16-22(27)28)15-21-17-25-24(26-23(21)29)31-14-8-3-2-7-13-30-18-19-9-5-4-6-10-19/h4-6,9-12,16-17H,2-3,7-8,13-15,18H2,1H3,(H,25,26,29)