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

Systemtic Name: 5-[(6-methylpyridin-3-yl)methyl]-2-(3-phenylpropylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 5-[(6-methyl-3-pyridyl)methyl]-2-(3-phenylpropylsulfanyl)-1H-pyrimidin-6-one CAS Name: 5-[(6-methyl-3-pyridinyl)methyl]-2-(3-phenylpropylthio)-1H-pyrimidin-6-one IUPAC Name: 5-[(6-methylpyridin-3-yl)methyl]-2-(3-phenylpropylsulfanyl)-1H-pyrimidin-6-one Traditional Name: 5-[(6-methyl-3-pyridyl)methyl]-2-(3-phenylpropylthio)-1H-pyrimidin-6-one Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)SCCCC3=CC=CC=C3

Isomeric SMILES

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)SCCCC3=CC=CC=C3

InChI

InChI=1S/C20H21N3OS/c1-15-9-10-17(13-21-15)12-18-14-22-20(23-19(18)24)25-11-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,13-14H,5,8,11-12H2,1H3,(H,22,23,24)