1-adamantyl-[4-[1-phenyl-6-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-[1-phenyl-6-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-(6-benzyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-[1-phenyl-6-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-(6-benzyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-(6-benzyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]methanone Formula: C33H36N6O MolecularWeight: 532.67854

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)CC5=CC=CC=C5)C(=O)C67CC8CC(C6)CC(C8)C7

Isomeric SMILES

C1CN(CCN1C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)CC5=CC=CC=C5)C(=O)C67CC8CC(C6)CC(C8)C7

InChI

InChI=1S/C33H36N6O/c40-32(33-19-24-15-25(20-33)17-26(16-24)21-33)38-13-11-37(12-14-38)30-28-22-34-39(27-9-5-2-6-10-27)31(28)36-29(35-30)18-23-7-3-1-4-8-23/h1-10,22,24-26H,11-21H2