5-[(6-methylpyridin-3-yl)methyl]-2-(7-phenylheptylsulfanyl)-1H-pyrimidin-6-one

Systemtic Name: 5-[(6-methylpyridin-3-yl)methyl]-2-(7-phenylheptylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 5-[(6-methyl-3-pyridyl)methyl]-2-(7-phenylheptylsulfanyl)-1H-pyrimidin-6-one CAS Name: 5-[(6-methyl-3-pyridinyl)methyl]-2-(7-phenylheptylthio)-1H-pyrimidin-6-one IUPAC Name: 5-[(6-methylpyridin-3-yl)methyl]-2-(7-phenylheptylsulfanyl)-1H-pyrimidin-6-one Traditional Name: 5-[(6-methyl-3-pyridyl)methyl]-2-(7-phenylheptylthio)-1H-pyrimidin-6-one Formula: C24H29N3OS MolecularWeight: 407.57156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)SCCCCCCCC3=CC=CC=C3

Isomeric SMILES

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)SCCCCCCCC3=CC=CC=C3

InChI

InChI=1S/C24H29N3OS/c1-19-13-14-21(17-25-19)16-22-18-26-24(27-23(22)28)29-15-9-4-2-3-6-10-20-11-7-5-8-12-20/h5,7-8,11-14,17-18H,2-4,6,9-10,15-16H2,1H3,(H,26,27,28)