2-(1-adamantyl)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(1-adamantyl)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone Openeye Name: 2-(1-adamantyl)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone CAS Name: 2-(1-adamantyl)-1-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1-adamantyl)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone Traditional Name: 2-(1-adamantyl)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]ethanone Formula: C22H30N6O MolecularWeight: 394.5132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C22H30N6O/c1-26-20-18(13-25-26)21(24-14-23-20)28-4-2-27(3-5-28)19(29)12-22-9-15-6-16(10-22)8-17(7-15)11-22/h13-17H,2-12H2,1H3