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

Systemtic Name: 1-[4-[1-phenyl-6-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]butan-1-one Openeye Name: 1-[4-(6-benzyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one CAS Name: 1-[4-[1-phenyl-6-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-(6-benzyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one Traditional Name: 1-[4-(6-benzyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]butan-1-one Formula: C26H28N6O MolecularWeight: 440.54012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H28N6O/c1-2-9-24(33)30-14-16-31(17-15-30)25-22-19-27-32(21-12-7-4-8-13-21)26(22)29-23(28-25)18-20-10-5-3-6-11-20/h3-8,10-13,19H,2,9,14-18H2,1H3