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

Systemtic Name: 2-butan-2-ylsulfanyl-6-(phenylmethyl)-5-(piperidin-1-ylmethyl)-1H-pyrimidin-4-one Openeye Name: 6-benzyl-5-(1-piperidylmethyl)-2-sec-butylsulfanyl-1H-pyrimidin-4-one CAS Name: 2-(butan-2-ylthio)-6-(phenylmethyl)-5-(1-piperidinylmethyl)-1H-pyrimidin-4-one IUPAC Name: 6-benzyl-2-butan-2-ylsulfanyl-5-(piperidin-1-ylmethyl)-1H-pyrimidin-4-one Traditional Name: 6-benzyl-5-(piperidinomethyl)-2-(sec-butylthio)-1H-pyrimidin-4-one Formula: C21H29N3OS MolecularWeight: 371.53946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=O)C(=C(N1)CC2=CC=CC=C2)CN3CCCCC3

Isomeric SMILES

CCC(C)SC1=NC(=O)C(=C(N1)CC2=CC=CC=C2)CN3CCCCC3

InChI

InChI=1S/C21H29N3OS/c1-3-16(2)26-21-22-19(14-17-10-6-4-7-11-17)18(20(25)23-21)15-24-12-8-5-9-13-24/h4,6-7,10-11,16H,3,5,8-9,12-15H2,1-2H3,(H,22,23,25)