2-butan-2-ylsulfanyl-6-(naphthalen-1-ylmethyl)-5-(piperidin-1-ylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-butan-2-ylsulfanyl-6-(naphthalen-1-ylmethyl)-5-(piperidin-1-ylmethyl)-1H-pyrimidin-4-one Openeye Name: 6-(1-naphthylmethyl)-5-(1-piperidylmethyl)-2-sec-butylsulfanyl-1H-pyrimidin-4-one CAS Name: 2-(butan-2-ylthio)-6-(1-naphthalenylmethyl)-5-(1-piperidinylmethyl)-1H-pyrimidin-4-one IUPAC Name: 2-butan-2-ylsulfanyl-6-(naphthalen-1-ylmethyl)-5-(piperidin-1-ylmethyl)-1H-pyrimidin-4-one Traditional Name: 6-(1-naphthylmethyl)-5-(piperidinomethyl)-2-(sec-butylthio)-1H-pyrimidin-4-one Formula: C25H31N3OS MolecularWeight: 421.59814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=O)C(=C(N1)CC2=CC=CC3=CC=CC=C32)CN4CCCCC4

Isomeric SMILES

CCC(C)SC1=NC(=O)C(=C(N1)CC2=CC=CC3=CC=CC=C32)CN4CCCCC4

InChI

InChI=1S/C25H31N3OS/c1-3-18(2)30-25-26-23(16-20-12-9-11-19-10-5-6-13-21(19)20)22(24(29)27-25)17-28-14-7-4-8-15-28/h5-6,9-13,18H,3-4,7-8,14-17H2,1-2H3,(H,26,27,29)