5-[(3-methyl-2-oxidanylidene-1H-pyridin-4-yl)methyl]-2-(6-phenylmethoxyhexylsulfanyl)-1H-pyrimidin-6-one

Systemtic Name: 5-[(3-methyl-2-oxidanylidene-1H-pyridin-4-yl)methyl]-2-(6-phenylmethoxyhexylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 2-(6-benzyloxyhexylsulfanyl)-5-[(3-methyl-2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one CAS Name: 5-[(3-methyl-2-oxo-1H-pyridin-4-yl)methyl]-2-(6-phenylmethoxyhexylthio)-1H-pyrimidin-6-one IUPAC Name: 5-[(3-methyl-2-oxo-1H-pyridin-4-yl)methyl]-2-(6-phenylmethoxyhexylsulfanyl)-1H-pyrimidin-6-one Traditional Name: 2-(6-benzoxyhexylthio)-5-[(2-keto-3-methyl-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CNC1=O)CC2=CN=C(NC2=O)SCCCCCCOCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CNC1=O)CC2=CN=C(NC2=O)SCCCCCCOCC3=CC=CC=C3

InChI

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