1-[4-[6-(oxan-4-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenylmethoxy-ethanone

Systemtic Name: 1-[4-[6-(oxan-4-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenylmethoxy-ethanone Openeye Name: 2-benzyloxy-1-[4-(1-phenyl-6-tetrahydropyran-4-yl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone CAS Name: 1-[4-[6-(4-oxanyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]-2-phenylmethoxyethanone IUPAC Name: 1-[4-[6-(oxan-4-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenylmethoxyethanone Traditional Name: 2-benzoxy-1-[4-(1-phenyl-6-tetrahydropyran-4-yl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]ethanone Formula: C29H32N6O3 MolecularWeight: 512.60278

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1C2=NC3=C(C=NN3C4=CC=CC=C4)C(=N2)N5CCN(CC5)C(=O)COCC6=CC=CC=C6

Isomeric SMILES

C1COCCC1C2=NC3=C(C=NN3C4=CC=CC=C4)C(=N2)N5CCN(CC5)C(=O)COCC6=CC=CC=C6

InChI

InChI=1S/C29H32N6O3/c36-26(21-38-20-22-7-3-1-4-8-22)33-13-15-34(16-14-33)28-25-19-30-35(24-9-5-2-6-10-24)29(25)32-27(31-28)23-11-17-37-18-12-23/h1-10,19,23H,11-18,20-21H2