2-fluoranyl-8-[(6-iodanyl-1,3-benzodioxol-5-yl)methyl]-7H-purin-6-amine

Systemtic Name: 2-fluoranyl-8-[(6-iodanyl-1,3-benzodioxol-5-yl)methyl]-7H-purin-6-amine Openeye Name: 2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-7H-purin-6-amine CAS Name: 2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-7H-purin-6-amine IUPAC Name: 2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-7H-purin-6-amine Traditional Name: [2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-7H-purin-6-yl]amine Formula: C13H9FIN5O2 MolecularWeight: 413.145733

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9FIN5O2/c14-13-19-11(16)10-12(20-13)18-9(17-10)2-5-1-7-8(3-6(5)15)22-4-21-7/h1,3H,2,4H2,(H3,16,17,18,19,20)