1-[4-(6-pentan-2-yl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylmethoxy-ethanone

Systemtic Name: 1-[4-(6-pentan-2-yl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylmethoxy-ethanone Openeye Name: 2-benzyloxy-1-[4-[6-(1-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-(6-pentan-2-yl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-2-phenylmethoxyethanone IUPAC Name: 1-[4-(6-pentan-2-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylmethoxyethanone Traditional Name: 2-benzoxy-1-[4-[6-(1-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazino]ethanone Formula: C29H34N6O2 MolecularWeight: 498.61926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)C(=O)COCC5=CC=CC=C5

Isomeric SMILES

CCCC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)C(=O)COCC5=CC=CC=C5

InChI

InChI=1S/C29H34N6O2/c1-3-10-22(2)27-31-28(25-19-30-35(29(25)32-27)24-13-8-5-9-14-24)34-17-15-33(16-18-34)26(36)21-37-20-23-11-6-4-7-12-23/h4-9,11-14,19,22H,3,10,15-18,20-21H2,1-2H3