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

Systemtic Name: 1-[4-[6-(2-methylpropyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(6-isobutyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one CAS Name: 1-[4-[6-(2-methylpropyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-[6-(2-methylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one Traditional Name: 1-[4-(6-isobutyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]propan-1-one Formula: C22H28N6O MolecularWeight: 392.49732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N6O/c1-4-20(29)26-10-12-27(13-11-26)21-18-15-23-28(17-8-6-5-7-9-17)22(18)25-19(24-21)14-16(2)3/h5-9,15-16H,4,10-14H2,1-3H3