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

Systemtic Name: 2-chloranyl-1-[4-(6-pentan-2-yl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone Openeye Name: 2-chloro-1-[4-[6-(1-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]ethanone CAS Name: 2-chloro-1-[4-(6-pentan-2-yl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-chloro-1-[4-(6-pentan-2-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone Traditional Name: 2-chloro-1-[4-[6-(1-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazino]ethanone Formula: C22H27ClN6O MolecularWeight: 426.94238

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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)CCl

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN6O/c1-3-7-16(2)20-25-21(28-12-10-27(11-13-28)19(30)14-23)18-15-24-29(22(18)26-20)17-8-5-4-6-9-17/h4-6,8-9,15-16H,3,7,10-14H2,1-2H3