5-[(5,6-dimethylpyridin-3-yl)methyl]-2-(6-phenylmethoxyhexylsulfanyl)-1H-pyrimidin-6-one

Systemtic Name: 5-[(5,6-dimethylpyridin-3-yl)methyl]-2-(6-phenylmethoxyhexylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 2-(6-benzyloxyhexylsulfanyl)-5-[(5,6-dimethyl-3-pyridyl)methyl]-1H-pyrimidin-6-one CAS Name: 5-[(5,6-dimethyl-3-pyridinyl)methyl]-2-(6-phenylmethoxyhexylthio)-1H-pyrimidin-6-one IUPAC Name: 5-[(5,6-dimethylpyridin-3-yl)methyl]-2-(6-phenylmethoxyhexylsulfanyl)-1H-pyrimidin-6-one Traditional Name: 2-(6-benzoxyhexylthio)-5-[(5,6-dimethyl-3-pyridyl)methyl]-1H-pyrimidin-6-one Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC(=C1)CC2=CN=C(NC2=O)SCCCCCCOCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N=CC(=C1)CC2=CN=C(NC2=O)SCCCCCCOCC3=CC=CC=C3)C

InChI

InChI=1S/C25H31N3O2S/c1-19-14-22(16-26-20(19)2)15-23-17-27-25(28-24(23)29)31-13-9-4-3-8-12-30-18-21-10-6-5-7-11-21/h5-7,10-11,14,16-17H,3-4,8-9,12-13,15,18H2,1-2H3,(H,27,28,29)