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

Systemtic Name: 5-[(6-methylpyridin-3-yl)methyl]-2-(5-phenylpentylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 5-[(6-methyl-3-pyridyl)methyl]-2-(5-phenylpentylsulfanyl)-1H-pyrimidin-6-one CAS Name: 5-[(6-methyl-3-pyridinyl)methyl]-2-(5-phenylpentylthio)-1H-pyrimidin-6-one IUPAC Name: 5-[(6-methylpyridin-3-yl)methyl]-2-(5-phenylpentylsulfanyl)-1H-pyrimidin-6-one Traditional Name: 5-[(6-methyl-3-pyridyl)methyl]-2-(5-phenylpentylthio)-1H-pyrimidin-6-one Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)SCCCCCC3=CC=CC=C3

Isomeric SMILES

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)SCCCCCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3OS/c1-17-11-12-19(15-23-17)14-20-16-24-22(25-21(20)26)27-13-7-3-6-10-18-8-4-2-5-9-18/h2,4-5,8-9,11-12,15-16H,3,6-7,10,13-14H2,1H3,(H,24,25,26)