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

Systemtic Name: (4-bromophenyl)-[4-(6-pentan-2-yl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: (4-bromophenyl)-[4-[6-(1-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: (4-bromophenyl)-[4-(6-pentan-2-yl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (4-bromophenyl)-[4-(6-pentan-2-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: (4-bromophenyl)-[4-[6-(1-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazino]methanone Formula: C27H29BrN6O MolecularWeight: 533.46276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29BrN6O/c1-3-7-19(2)24-30-25(23-18-29-34(26(23)31-24)22-8-5-4-6-9-22)32-14-16-33(17-15-32)27(35)20-10-12-21(28)13-11-20/h4-6,8-13,18-19H,3,7,14-17H2,1-2H3