6-[1-(4-methylpiperazin-1-yl)-2-oxidanyl-ethyl]-5-(phenylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[1-(4-methylpiperazin-1-yl)-2-oxidanyl-ethyl]-5-(phenylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-benzyl-6-[2-hydroxy-1-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[2-hydroxy-1-(4-methyl-1-piperazinyl)ethyl]-5-(phenylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-benzyl-6-[2-hydroxy-1-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-benzyl-6-[2-hydroxy-1-(4-methylpiperazino)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H24N6O2 MolecularWeight: 368.43286

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CO)C2=NC3=C(C=NN3)C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C(CO)C2=NC3=C(C=NN3)C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C19H24N6O2/c1-23-7-9-24(10-8-23)16(13-26)18-21-17-15(11-20-22-17)19(27)25(18)12-14-5-3-2-4-6-14/h2-6,11,16,26H,7-10,12-13H2,1H3,(H,20,22)