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

Systemtic Name: 1-[4-[6-(2-methylpropyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]butan-1-one Openeye Name: 1-[4-(6-isobutyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one CAS Name: 1-[4-[6-(2-methylpropyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-[6-(2-methylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]butan-1-one Traditional Name: 1-[4-(6-isobutyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]butan-1-one Formula: C23H30N6O MolecularWeight: 406.5239

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N6O/c1-4-8-21(30)27-11-13-28(14-12-27)22-19-16-24-29(18-9-6-5-7-10-18)23(19)26-20(25-22)15-17(2)3/h5-7,9-10,16-17H,4,8,11-15H2,1-3H3