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

Systemtic Name: 8-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-2-fluoranyl-7H-purin-6-amine Openeye Name: 8-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-fluoro-7H-purin-6-amine CAS Name: 8-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-fluoro-7H-purin-6-amine IUPAC Name: 8-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-fluoro-7H-purin-6-amine Traditional Name: [8-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-fluoro-7H-purin-6-yl]amine Formula: C13H9ClFN5O2 MolecularWeight: 321.694263

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H9ClFN5O2/c14-6-3-8-7(21-4-22-8)1-5(6)2-9-17-10-11(16)19-13(15)20-12(10)18-9/h1,3H,2,4H2,(H3,16,17,18,19,20)