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

Systemtic Name: 5-[(6-methylpyridin-3-yl)methyl]-2-[3-[5-methylsulfanyl-2-(piperidin-1-ylmethyl)thiophen-3-yl]propyl]-1H-pyrimidin-6-one Openeye Name: 5-[(6-methyl-3-pyridyl)methyl]-2-[3-[5-methylsulfanyl-2-(1-piperidylmethyl)-3-thienyl]propyl]-1H-pyrimidin-6-one CAS Name: 5-[(6-methyl-3-pyridinyl)methyl]-2-[3-[5-(methylthio)-2-(1-piperidinylmethyl)-3-thiophenyl]propyl]-1H-pyrimidin-6-one IUPAC Name: 5-[(6-methylpyridin-3-yl)methyl]-2-[3-[5-methylsulfanyl-2-(piperidin-1-ylmethyl)thiophen-3-yl]propyl]-1H-pyrimidin-6-one Traditional Name: 5-[(6-methyl-3-pyridyl)methyl]-2-[3-[5-(methylthio)-2-(piperidinomethyl)-3-thienyl]propyl]-1H-pyrimidin-6-one Formula: C25H32N4OS2 MolecularWeight: 468.67778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)CCCC3=C(SC(=C3)SC)CN4CCCCC4

Isomeric SMILES

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)CCCC3=C(SC(=C3)SC)CN4CCCCC4

InChI

InChI=1S/C25H32N4OS2/c1-18-9-10-19(15-26-18)13-21-16-27-23(28-25(21)30)8-6-7-20-14-24(31-2)32-22(20)17-29-11-4-3-5-12-29/h9-10,14-16H,3-8,11-13,17H2,1-2H3,(H,27,28,30)