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

Systemtic Name: cyclohexyl-[4-[3-methyl-6-(2-methylpropyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: cyclohexyl-[4-(6-isobutyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: cyclohexyl-[4-[3-methyl-6-(2-methylpropyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: cyclohexyl-[4-[3-methyl-6-(2-methylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: cyclohexyl-[4-(6-isobutyl-3-methyl-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:

CC1=NN(C2=C1C(=NC(=N2)CC(C)C)N3CCN(CC3)C(=O)C4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C(=NC(=N2)CC(C)C)N3CCN(CC3)C(=O)C4CCCCC4)C5=CC=CC=C5

InChI

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