1-[4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-(6-butyl-3-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-2-phenoxyethanone IUPAC Name: 1-[4-(6-butyl-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-2-phenoxy-ethanone Formula: C28H32N6O2 MolecularWeight: 484.59268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCN(CC4)C(=O)COC5=CC=CC=C5

Isomeric SMILES

CCCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCN(CC4)C(=O)COC5=CC=CC=C5

InChI

InChI=1S/C28H32N6O2/c1-3-4-15-24-29-27(26-21(2)31-34(28(26)30-24)22-11-7-5-8-12-22)33-18-16-32(17-19-33)25(35)20-36-23-13-9-6-10-14-23/h5-14H,3-4,15-20H2,1-2H3