5-[(6-methylpyridin-3-yl)methyl]-2-[2-[5-methylsulfanyl-2-(piperidin-1-ylmethyl)thiophen-3-yl]ethyl]-1H-pyrimidin-6-one

Systemtic Name: 5-[(6-methylpyridin-3-yl)methyl]-2-[2-[5-methylsulfanyl-2-(piperidin-1-ylmethyl)thiophen-3-yl]ethyl]-1H-pyrimidin-6-one Openeye Name: 5-[(6-methyl-3-pyridyl)methyl]-2-[2-[5-methylsulfanyl-2-(1-piperidylmethyl)-3-thienyl]ethyl]-1H-pyrimidin-6-one CAS Name: 5-[(6-methyl-3-pyridinyl)methyl]-2-[2-[5-(methylthio)-2-(1-piperidinylmethyl)-3-thiophenyl]ethyl]-1H-pyrimidin-6-one IUPAC Name: 5-[(6-methylpyridin-3-yl)methyl]-2-[2-[5-methylsulfanyl-2-(piperidin-1-ylmethyl)thiophen-3-yl]ethyl]-1H-pyrimidin-6-one Traditional Name: 5-[(6-methyl-3-pyridyl)methyl]-2-[2-[5-(methylthio)-2-(piperidinomethyl)-3-thienyl]ethyl]-1H-pyrimidin-6-one Formula: C24H30N4OS2 MolecularWeight: 454.6512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)CCC3=C(SC(=C3)SC)CN4CCCCC4

Isomeric SMILES

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)CCC3=C(SC(=C3)SC)CN4CCCCC4

InChI

InChI=1S/C24H30N4OS2/c1-17-6-7-18(14-25-17)12-20-15-26-22(27-24(20)29)9-8-19-13-23(30-2)31-21(19)16-28-10-4-3-5-11-28/h6-7,13-15H,3-5,8-12,16H2,1-2H3,(H,26,27,29)