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

Systemtic Name: cyclohexyl-[4-(6-pentan-2-yl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: cyclohexyl-[4-[6-(1-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: cyclohexyl-[4-(6-pentan-2-yl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: cyclohexyl-[4-(6-pentan-2-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: cyclohexyl-[4-[6-(1-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazino]methanone Formula: C27H36N6O MolecularWeight: 460.61434

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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)C5CCCCC5

Isomeric SMILES

CCCC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)C(=O)C5CCCCC5

InChI

InChI=1S/C27H36N6O/c1-3-10-20(2)24-29-25(23-19-28-33(26(23)30-24)22-13-8-5-9-14-22)31-15-17-32(18-16-31)27(34)21-11-6-4-7-12-21/h5,8-9,13-14,19-21H,3-4,6-7,10-12,15-18H2,1-2H3