N6-(1-adamantyl)-N4-cyclohexyl-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N6-(1-adamantyl)-N4-cyclohexyl-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-(1-adamantyl)-N4-cyclohexyl-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N6-(1-adamantyl)-N4-cyclohexyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-(1-adamantyl)-4-N-cyclohexyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[4-(cyclohexylamino)-1-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C22H32N6 MolecularWeight: 380.52968

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC(=N2)NC34CC5CC(C3)CC(C5)C4)NC6CCCCC6

Isomeric SMILES

CN1C2=C(C=N1)C(=NC(=N2)NC34CC5CC(C3)CC(C5)C4)NC6CCCCC6

InChI

InChI=1S/C22H32N6/c1-28-20-18(13-23-28)19(24-17-5-3-2-4-6-17)25-21(26-20)27-22-10-14-7-15(11-22)9-16(8-14)12-22/h13-17H,2-12H2,1H3,(H2,24,25,26,27)