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

Systemtic Name: 6-[cyclopropyl-(4-methylpiperazin-1-yl)methyl]-5-(phenylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-benzyl-6-[cyclopropyl-(4-methylpiperazin-1-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[cyclopropyl-(4-methyl-1-piperazinyl)methyl]-5-(phenylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-benzyl-6-[cyclopropyl-(4-methylpiperazin-1-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-benzyl-6-[cyclopropyl-(4-methylpiperazino)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H26N6O MolecularWeight: 378.47074

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(C2CC2)C3=NC4=C(C=NN4)C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)C(C2CC2)C3=NC4=C(C=NN4)C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C21H26N6O/c1-25-9-11-26(12-10-25)18(16-7-8-16)20-23-19-17(13-22-24-19)21(28)27(20)14-15-5-3-2-4-6-15/h2-6,13,16,18H,7-12,14H2,1H3,(H,22,24)