6-[1-(4-methylpiperazin-1-yl)butyl]-5-(phenylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[1-(4-methylpiperazin-1-yl)butyl]-5-(phenylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-benzyl-6-[1-(4-methylpiperazin-1-yl)butyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[1-(4-methyl-1-piperazinyl)butyl]-5-(phenylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-benzyl-6-[1-(4-methylpiperazin-1-yl)butyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-benzyl-6-[1-(4-methylpiperazino)butyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H28N6O MolecularWeight: 380.48662

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NC2=C(C=NN2)C(=O)N1CC3=CC=CC=C3)N4CCN(CC4)C

Isomeric SMILES

CCCC(C1=NC2=C(C=NN2)C(=O)N1CC3=CC=CC=C3)N4CCN(CC4)C

InChI

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