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

Systemtic Name: N-(1-adamantyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanamide Openeye Name: N-(1-adamantyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide CAS Name: N-(1-adamantyl)-2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]acetamide IUPAC Name: N-(1-adamantyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide Traditional Name: N-(1-adamantyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]acetamide Formula: C22H31N7O MolecularWeight: 409.52784

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C22H31N7O/c1-27-20-18(12-25-27)21(24-14-23-20)29-4-2-28(3-5-29)13-19(30)26-22-9-15-6-16(10-22)8-17(7-15)11-22/h12,14-17H,2-11,13H2,1H3,(H,26,30)