N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine IUPAC Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [4-(morpholin-4-ium-4-ylmethyl)benzyl]-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amine Formula: C17H21N6O+ MolecularWeight: 325.38824

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)CNC3=NC=NC4=C3C=NN4

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)CNC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C17H20N6O/c1-3-14(11-23-5-7-24-8-6-23)4-2-13(1)9-18-16-15-10-21-22-17(15)20-12-19-16/h1-4,10,12H,5-9,11H2,(H2,18,19,20,21,22)/p+1