2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]ethanamide

Systemtic Name: 2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]ethanamide Openeye Name: 2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]acetamide CAS Name: 2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]acetamide IUPAC Name: 2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]acetamide Traditional Name: 2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]acetamide Formula: C18H22N7O3+ MolecularWeight: 384.41238

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

InChI

InChI=1S/C18H21N7O3/c1-23-17-14(10-22-23)18(27)25(12-21-17)11-16(26)20-9-13-2-3-15(19-8-13)24-4-6-28-7-5-24/h2-3,8,10,12H,4-7,9,11H2,1H3,(H,20,26)/p+1