N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-chloranyl-7H-purin-6-amine

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-chloranyl-7H-purin-6-amine Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-2-chloro-7H-purin-6-amine CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-chloro-7H-purin-6-amine IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-chloro-7H-purin-6-amine Traditional Name: (2-chloro-7H-purin-6-yl)-[(E)-piperonylideneamino]amine Formula: C13H9ClN6O2 MolecularWeight: 316.70256

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=NNC3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=N/NC3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C13H9ClN6O2/c14-13-18-11-10(15-5-16-11)12(19-13)20-17-4-7-1-2-8-9(3-7)22-6-21-8/h1-5H,6H2,(H2,15,16,18,19,20)/b17-4+