5-[(6-methylpyridin-3-yl)methyl]-2-(9-phenylnonylsulfanyl)-1H-pyrimidin-6-one

Systemtic Name: 5-[(6-methylpyridin-3-yl)methyl]-2-(9-phenylnonylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 5-[(6-methyl-3-pyridyl)methyl]-2-(9-phenylnonylsulfanyl)-1H-pyrimidin-6-one CAS Name: 5-[(6-methyl-3-pyridinyl)methyl]-2-(9-phenylnonylthio)-1H-pyrimidin-6-one IUPAC Name: 5-[(6-methylpyridin-3-yl)methyl]-2-(9-phenylnonylsulfanyl)-1H-pyrimidin-6-one Traditional Name: 5-[(6-methyl-3-pyridyl)methyl]-2-(9-phenylnonylthio)-1H-pyrimidin-6-one Formula: C26H33N3OS MolecularWeight: 435.62472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)SCCCCCCCCCC3=CC=CC=C3

Isomeric SMILES

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)SCCCCCCCCCC3=CC=CC=C3

InChI

InChI=1S/C26H33N3OS/c1-21-15-16-23(19-27-21)18-24-20-28-26(29-25(24)30)31-17-11-6-4-2-3-5-8-12-22-13-9-7-10-14-22/h7,9-10,13-16,19-20H,2-6,8,11-12,17-18H2,1H3,(H,28,29,30)