5-[(5,6-dimethylpyridin-3-yl)methyl]-2-(8-phenyloctylsulfanyl)-1H-pyrimidin-6-one

Systemtic Name: 5-[(5,6-dimethylpyridin-3-yl)methyl]-2-(8-phenyloctylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 5-[(5,6-dimethyl-3-pyridyl)methyl]-2-(8-phenyloctylsulfanyl)-1H-pyrimidin-6-one CAS Name: 5-[(5,6-dimethyl-3-pyridinyl)methyl]-2-(8-phenyloctylthio)-1H-pyrimidin-6-one IUPAC Name: 5-[(5,6-dimethylpyridin-3-yl)methyl]-2-(8-phenyloctylsulfanyl)-1H-pyrimidin-6-one Traditional Name: 5-[(5,6-dimethyl-3-pyridyl)methyl]-2-(8-phenyloctylthio)-1H-pyrimidin-6-one Formula: C26H33N3OS MolecularWeight: 435.62472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC(=C1)CC2=CN=C(NC2=O)SCCCCCCCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N=CC(=C1)CC2=CN=C(NC2=O)SCCCCCCCCC3=CC=CC=C3)C

InChI

InChI=1S/C26H33N3OS/c1-20-16-23(18-27-21(20)2)17-24-19-28-26(29-25(24)30)31-15-11-6-4-3-5-8-12-22-13-9-7-10-14-22/h7,9-10,13-14,16,18-19H,3-6,8,11-12,15,17H2,1-2H3,(H,28,29,30)