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

Systemtic Name: (3-bromophenyl)-[4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: (3-bromophenyl)-[4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: (3-bromophenyl)-[4-(6-butyl-3-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (3-bromophenyl)-[4-(6-butyl-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: (3-bromophenyl)-[4-(6-butyl-3-methyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29BrN6O/c1-3-4-13-23-29-25(24-19(2)31-34(26(24)30-23)22-11-6-5-7-12-22)32-14-16-33(17-15-32)27(35)20-9-8-10-21(28)18-20/h5-12,18H,3-4,13-17H2,1-2H3