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

Systemtic Name: N-(cyclopentylcarbamoyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(cyclopentylcarbamoyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(cyclopentylamino)-oxomethyl]-2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(cyclopentylcarbamoyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(cyclopentylcarbamoyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Formula: C18H27N8O2+ MolecularWeight: 387.45938

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CC[NH+](CC3)CC(=O)NC(=O)NC4CCCC4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CC[NH+](CC3)CC(=O)NC(=O)NC4CCCC4

InChI

InChI=1S/C18H26N8O2/c1-24-16-14(10-21-24)17(20-12-19-16)26-8-6-25(7-9-26)11-15(27)23-18(28)22-13-4-2-3-5-13/h10,12-13H,2-9,11H2,1H3,(H2,22,23,27,28)/p+1