6-chloranyl-9-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]purin-2-amine

Systemtic Name: 6-chloranyl-9-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]purin-2-amine Openeye Name: 6-chloro-9-[(6-chloro-1,3-benzodioxol-5-yl)methyl]purin-2-amine CAS Name: 6-chloro-9-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-purinamine IUPAC Name: 6-chloro-9-[(6-chloro-1,3-benzodioxol-5-yl)methyl]purin-2-amine Traditional Name: [6-chloro-9-[(6-chloro-1,3-benzodioxol-5-yl)methyl]purin-2-yl]amine Formula: C13H9Cl2N5O2 MolecularWeight: 338.14886

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CN3C=NC4=C3N=C(N=C4Cl)N)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CN3C=NC4=C3N=C(N=C4Cl)N)Cl

InChI

InChI=1S/C13H9Cl2N5O2/c14-7-2-9-8(21-5-22-9)1-6(7)3-20-4-17-10-11(15)18-13(16)19-12(10)20/h1-2,4H,3,5H2,(H2,16,18,19)