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

Systemtic Name: 6-[3-methyl-1-(4-methylpiperazin-1-yl)butyl]-5-(phenylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-benzyl-6-[3-methyl-1-(4-methylpiperazin-1-yl)butyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[3-methyl-1-(4-methyl-1-piperazinyl)butyl]-5-(phenylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-benzyl-6-[3-methyl-1-(4-methylpiperazin-1-yl)butyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-benzyl-6-[3-methyl-1-(4-methylpiperazino)butyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C22H30N6O MolecularWeight: 394.5132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6O/c1-16(2)13-19(27-11-9-26(3)10-12-27)21-24-20-18(14-23-25-20)22(29)28(21)15-17-7-5-4-6-8-17/h4-8,14,16,19H,9-13,15H2,1-3H3,(H,23,25)