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

Systemtic Name: 6-(2-cyclopropyl-1-piperazin-1-yl-ethyl)-5-(phenylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-benzyl-6-(2-cyclopropyl-1-piperazin-1-yl-ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[2-cyclopropyl-1-(1-piperazinyl)ethyl]-5-(phenylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-benzyl-6-(2-cyclopropyl-1-piperazin-1-ylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-benzyl-6-(2-cyclopropyl-1-piperazino-ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H26N6O MolecularWeight: 378.47074

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CC(C2=NC3=C(C=NN3)C(=O)N2CC4=CC=CC=C4)N5CCNCC5

Isomeric SMILES

C1CC1CC(C2=NC3=C(C=NN3)C(=O)N2CC4=CC=CC=C4)N5CCNCC5

InChI

InChI=1S/C21H26N6O/c28-21-17-13-23-25-19(17)24-20(27(21)14-16-4-2-1-3-5-16)18(12-15-6-7-15)26-10-8-22-9-11-26/h1-5,13,15,18,22H,6-12,14H2,(H,23,25)