6-[1-[4-(methylamino)piperidin-1-yl]propyl]-5-(phenylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[1-[4-(methylamino)piperidin-1-yl]propyl]-5-(phenylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-benzyl-6-[1-[4-(methylamino)-1-piperidyl]propyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[1-[4-(methylamino)-1-piperidinyl]propyl]-5-(phenylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-benzyl-6-[1-[4-(methylamino)piperidin-1-yl]propyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-benzyl-6-[1-[4-(methylamino)piperidino]propyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H28N6O MolecularWeight: 380.48662

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=C(C=NN2)C(=O)N1CC3=CC=CC=C3)N4CCC(CC4)NC

Isomeric SMILES

CCC(C1=NC2=C(C=NN2)C(=O)N1CC3=CC=CC=C3)N4CCC(CC4)NC

InChI

InChI=1S/C21H28N6O/c1-3-18(26-11-9-16(22-2)10-12-26)20-24-19-17(13-23-25-19)21(28)27(20)14-15-7-5-4-6-8-15/h4-8,13,16,18,22H,3,9-12,14H2,1-2H3,(H,23,25)