8-(1,3-benzodioxol-5-ylmethyl)-7H-purine-2,6-diamine

Systemtic Name: 8-(1,3-benzodioxol-5-ylmethyl)-7H-purine-2,6-diamine Openeye Name: 8-(1,3-benzodioxol-5-ylmethyl)-7H-purine-2,6-diamine CAS Name: 8-(1,3-benzodioxol-5-ylmethyl)-7H-purine-2,6-diamine IUPAC Name: 8-(1,3-benzodioxol-5-ylmethyl)-7H-purine-2,6-diamine Traditional Name: (2-amino-8-piperonyl-7H-purin-6-yl)amine Formula: C13H12N6O2 MolecularWeight: 284.27338

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC3=NC4=C(N3)C(=NC(=N4)N)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC3=NC4=C(N3)C(=NC(=N4)N)N

InChI

InChI=1S/C13H12N6O2/c14-11-10-12(19-13(15)18-11)17-9(16-10)4-6-1-2-7-8(3-6)21-5-20-7/h1-3H,4-5H2,(H5,14,15,16,17,18,19)