9-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]purin-6-amine

Systemtic Name: 9-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]purin-6-amine Openeye Name: 9-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]purin-6-amine CAS Name: 9-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-6-purinamine IUPAC Name: 9-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]purin-6-amine Traditional Name: 2-adenin-9-ylethyl(piperonyl)amine Formula: C15H16N6O2 MolecularWeight: 312.32654

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNCCN3C=NC4=C3N=CN=C4N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNCCN3C=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)