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

Systemtic Name: 5-[(1-butyl-2-oxidanylidene-pyridin-4-yl)methyl]-2-(8-phenyloctylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 5-[(1-butyl-2-oxo-4-pyridyl)methyl]-2-(8-phenyloctylsulfanyl)-1H-pyrimidin-6-one CAS Name: 5-[(1-butyl-2-oxo-4-pyridinyl)methyl]-2-(8-phenyloctylthio)-1H-pyrimidin-6-one IUPAC Name: 5-[(1-butyl-2-oxopyridin-4-yl)methyl]-2-(8-phenyloctylsulfanyl)-1H-pyrimidin-6-one Traditional Name: 5-[(1-butyl-2-keto-4-pyridyl)methyl]-2-(8-phenyloctylthio)-1H-pyrimidin-6-one Formula: C28H37N3O2S MolecularWeight: 479.67728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=CC(=CC1=O)CC2=CN=C(NC2=O)SCCCCCCCCC3=CC=CC=C3

Isomeric SMILES

CCCCN1C=CC(=CC1=O)CC2=CN=C(NC2=O)SCCCCCCCCC3=CC=CC=C3

InChI

InChI=1S/C28H37N3O2S/c1-2-3-17-31-18-16-24(21-26(31)32)20-25-22-29-28(30-27(25)33)34-19-12-7-5-4-6-9-13-23-14-10-8-11-15-23/h8,10-11,14-16,18,21-22H,2-7,9,12-13,17,19-20H2,1H3,(H,29,30,33)