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2-(6-aminopurin-9-yl)ethyl-(1,3-benzodioxol-5-ylmethyl)azanium

2-(6-aminopurin-9-yl)ethyl-(1,3-benzodioxol-5-ylmethyl)azanium

Systemtic Name:2-(6-aminopurin-9-yl)ethyl-(1,3-benzodioxol-5-ylmethyl)azanium
Openeye Name:2-(6-aminopurin-9-yl)ethyl-(1,3-benzodioxol-5-ylmethyl)ammonium
CAS Name:2-(6-aminopurin-9-yl)ethyl-(1,3-benzodioxol-5-ylmethyl)ammonium
IUPAC Name:2-(6-aminopurin-9-yl)ethyl-(1,3-benzodioxol-5-ylmethyl)azanium
Traditional Name:2-adenin-9-ylethyl(piperonyl)ammonium
Formula: C15H17N6O2+
MolecularWeight: 313.33448
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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH2+]CCN3C=NC4=C3N=CN=C4N


Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH2+]CCN3C=NC4=C3N=CN=C4N


InChI

InChI=1S/C15H16N6O2/c16-14-13-15(19-7-18-14)21(8-20-13)4-3-17-6-10-1-2-11-12(5-10)23-9-22-11/h1-2,5,7-8,17H,3-4,6,9H2,(H2,16,18,19)/p+1


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