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

Systemtic Name: 5-[(1-methyl-2-oxidanylidene-pyridin-4-yl)methyl]-2-(6-phenylheptylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 5-[(1-methyl-2-oxo-4-pyridyl)methyl]-2-(6-phenylheptylsulfanyl)-1H-pyrimidin-6-one CAS Name: 5-[(1-methyl-2-oxo-4-pyridinyl)methyl]-2-(6-phenylheptylthio)-1H-pyrimidin-6-one IUPAC Name: 5-[(1-methyl-2-oxopyridin-4-yl)methyl]-2-(6-phenylheptylsulfanyl)-1H-pyrimidin-6-one Traditional Name: 5-[(2-keto-1-methyl-4-pyridyl)methyl]-2-(6-phenylheptylthio)-1H-pyrimidin-6-one Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCSC1=NC=C(C(=O)N1)CC2=CC(=O)N(C=C2)C)C3=CC=CC=C3

Isomeric SMILES

CC(CCCCCSC1=NC=C(C(=O)N1)CC2=CC(=O)N(C=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C24H29N3O2S/c1-18(20-10-6-3-7-11-20)9-5-4-8-14-30-24-25-17-21(23(29)26-24)15-19-12-13-27(2)22(28)16-19/h3,6-7,10-13,16-18H,4-5,8-9,14-15H2,1-2H3,(H,25,26,29)