9-(1,3-benzodioxol-4-ylmethyl)-N-methyl-purin-6-amine

Systemtic Name: 9-(1,3-benzodioxol-4-ylmethyl)-N-methyl-purin-6-amine Openeye Name: 9-(1,3-benzodioxol-4-ylmethyl)-N-methyl-purin-6-amine CAS Name: 9-(1,3-benzodioxol-4-ylmethyl)-N-methyl-6-purinamine IUPAC Name: 9-(1,3-benzodioxol-4-ylmethyl)-N-methylpurin-6-amine Traditional Name: [9-(1,3-benzodioxol-4-ylmethyl)purin-6-yl]-methyl-amine Formula: C14H13N5O2 MolecularWeight: 283.28532

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=NC2=C1N=CN2CC3=C4C(=CC=C3)OCO4

Isomeric SMILES

CNC1=NC=NC2=C1N=CN2CC3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C14H13N5O2/c1-15-13-11-14(17-6-16-13)19(7-18-11)5-9-3-2-4-10-12(9)21-8-20-10/h2-4,6-7H,5,8H2,1H3,(H,15,16,17)