N-(1,3-benzodioxol-5-ylmethyl)-2-chloranyl-7H-purin-6-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-chloranyl-7H-purin-6-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-7H-purin-6-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-7H-purin-6-amine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-7H-purin-6-amine Traditional Name: (2-chloro-7H-purin-6-yl)-piperonyl-amine Formula: C13H10ClN5O2 MolecularWeight: 303.7038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C13H10ClN5O2/c14-13-18-11(10-12(19-13)17-5-16-10)15-4-7-1-2-8-9(3-7)21-6-20-8/h1-3,5H,4,6H2,(H2,15,16,17,18,19)