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

Systemtic Name: 2-phenyl-1-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one Openeye Name: 2-phenyl-1-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one CAS Name: 2-phenyl-1-[4-(1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-1-butanone IUPAC Name: 2-phenyl-1-[4-(1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one Traditional Name: 2-phenyl-1-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]butan-1-one Formula: C28H32N6O MolecularWeight: 468.59328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)C(=O)C(CC)C5=CC=CC=C5

Isomeric SMILES

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)C(=O)C(CC)C5=CC=CC=C5

InChI

InChI=1S/C28H32N6O/c1-3-11-25-30-26(24-20-29-34(27(24)31-25)22-14-9-6-10-15-22)32-16-18-33(19-17-32)28(35)23(4-2)21-12-7-5-8-13-21/h5-10,12-15,20,23H,3-4,11,16-19H2,1-2H3