2-[(1-methyl-2-oxidanylidene-pyridin-4-yl)methyl]-5-(8-phenyloctylsulfanyl)-1H-pyrimidin-6-one

Systemtic Name: 2-[(1-methyl-2-oxidanylidene-pyridin-4-yl)methyl]-5-(8-phenyloctylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 2-[(1-methyl-2-oxo-4-pyridyl)methyl]-5-(8-phenyloctylsulfanyl)-1H-pyrimidin-6-one CAS Name: 2-[(1-methyl-2-oxo-4-pyridinyl)methyl]-5-(8-phenyloctylthio)-1H-pyrimidin-6-one IUPAC Name: 2-[(1-methyl-2-oxopyridin-4-yl)methyl]-5-(8-phenyloctylsulfanyl)-1H-pyrimidin-6-one Traditional Name: 2-[(2-keto-1-methyl-4-pyridyl)methyl]-5-(8-phenyloctylthio)-1H-pyrimidin-6-one Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=CC1=O)CC2=NC=C(C(=O)N2)SCCCCCCCCC3=CC=CC=C3

Isomeric SMILES

CN1C=CC(=CC1=O)CC2=NC=C(C(=O)N2)SCCCCCCCCC3=CC=CC=C3

InChI

InChI=1S/C25H31N3O2S/c1-28-15-14-21(18-24(28)29)17-23-26-19-22(25(30)27-23)31-16-10-5-3-2-4-7-11-20-12-8-6-9-13-20/h6,8-9,12-15,18-19H,2-5,7,10-11,16-17H2,1H3,(H,26,27,30)