5-[(6-methylpyridin-3-yl)methyl]-2-(8-oxidanylidene-8-phenyl-octyl)sulfanyl-1H-pyrimidin-6-one

Systemtic Name: 5-[(6-methylpyridin-3-yl)methyl]-2-(8-oxidanylidene-8-phenyl-octyl)sulfanyl-1H-pyrimidin-6-one Openeye Name: 5-[(6-methyl-3-pyridyl)methyl]-2-(8-oxo-8-phenyl-octyl)sulfanyl-1H-pyrimidin-6-one CAS Name: 5-[(6-methyl-3-pyridinyl)methyl]-2-[(8-oxo-8-phenyloctyl)thio]-1H-pyrimidin-6-one IUPAC Name: 5-[(6-methylpyridin-3-yl)methyl]-2-(8-oxo-8-phenyloctyl)sulfanyl-1H-pyrimidin-6-one Traditional Name: 2-[(8-keto-8-phenyl-octyl)thio]-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-6-one Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)SCCCCCCCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)SCCCCCCCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H29N3O2S/c1-19-13-14-20(17-26-19)16-22-18-27-25(28-24(22)30)31-15-9-4-2-3-8-12-23(29)21-10-6-5-7-11-21/h5-7,10-11,13-14,17-18H,2-4,8-9,12,15-16H2,1H3,(H,27,28,30)