1-[4-(6-cyclohexyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 1-[4-(6-cyclohexyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(6-cyclohexyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one CAS Name: 1-[4-(6-cyclohexyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-(6-cyclohexyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one Traditional Name: 1-[4-(6-cyclohexyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]propan-1-one Formula: C24H30N6O MolecularWeight: 418.5346

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C5CCCCC5

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C5CCCCC5

InChI

InChI=1S/C24H30N6O/c1-2-21(31)28-13-15-29(16-14-28)23-20-17-25-30(19-11-7-4-8-12-19)24(20)27-22(26-23)18-9-5-3-6-10-18/h4,7-8,11-12,17-18H,2-3,5-6,9-10,13-16H2,1H3