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

Systemtic Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-(prop-2-enylcarbamoyl)ethanamide Openeye Name: N-(allylcarbamoyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazin-1-iumyl]-N-[oxo-(prop-2-enylamino)methyl]acetamide IUPAC Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-(prop-2-enylcarbamoyl)acetamide Traditional Name: N-(allylcarbamoyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Formula: C16H23N8O2+ MolecularWeight: 359.40622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N8O2/c1-3-4-17-16(26)21-13(25)10-23-5-7-24(8-6-23)15-12-9-20-22(2)14(12)18-11-19-15/h3,9,11H,1,4-8,10H2,2H3,(H2,17,21,25,26)/p+1