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

Systemtic Name: 1-[4-[6-(2-methylpropyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]hexan-1-one Openeye Name: 1-[4-(6-isobutyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]hexan-1-one CAS Name: 1-[4-[6-(2-methylpropyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]-1-hexanone IUPAC Name: 1-[4-[6-(2-methylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]hexan-1-one Traditional Name: 1-[4-(6-isobutyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]hexan-1-one Formula: C25H34N6O MolecularWeight: 434.57706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N6O/c1-4-5-7-12-23(32)29-13-15-30(16-14-29)24-21-18-26-31(20-10-8-6-9-11-20)25(21)28-22(27-24)17-19(2)3/h6,8-11,18-19H,4-5,7,12-17H2,1-3H3