1-adamantyl-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-(1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-(1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]methanone Formula: C29H36N6O MolecularWeight: 484.63574

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)C(=O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)C(=O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C29H36N6O/c1-2-6-25-31-26(24-19-30-35(27(24)32-25)23-7-4-3-5-8-23)33-9-11-34(12-10-33)28(36)29-16-20-13-21(17-29)15-22(14-20)18-29/h3-5,7-8,19-22H,2,6,9-18H2,1H3