1-[4-[6-(2-methylpropyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]heptan-1-one

Systemtic Name: 1-[4-[6-(2-methylpropyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]heptan-1-one Openeye Name: 1-[4-(6-isobutyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]heptan-1-one CAS Name: 1-[4-[6-(2-methylpropyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]-1-heptanone IUPAC Name: 1-[4-[6-(2-methylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]heptan-1-one Traditional Name: 1-[4-(6-isobutyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]heptan-1-one Formula: C26H36N6O MolecularWeight: 448.60364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N1CCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)CC(C)C

Isomeric SMILES

CCCCCCC(=O)N1CCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)CC(C)C

InChI

InChI=1S/C26H36N6O/c1-4-5-6-10-13-24(33)30-14-16-31(17-15-30)25-22-19-27-32(21-11-8-7-9-12-21)26(22)29-23(28-25)18-20(2)3/h7-9,11-12,19-20H,4-6,10,13-18H2,1-3H3