9-(3-bromanylpropyl)-2-fluoranyl-8-[(6-iodanyl-1,3-benzodioxol-5-yl)methyl]purin-6-amine

Systemtic Name: 9-(3-bromanylpropyl)-2-fluoranyl-8-[(6-iodanyl-1,3-benzodioxol-5-yl)methyl]purin-6-amine Openeye Name: 9-(3-bromopropyl)-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-6-amine CAS Name: 9-(3-bromopropyl)-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-6-purinamine IUPAC Name: 9-(3-bromopropyl)-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-6-amine Traditional Name: [9-(3-bromopropyl)-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-6-yl]amine Formula: C16H14BrFIN5O2 MolecularWeight: 534.121533

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CC3=NC4=C(N3CCCBr)N=C(N=C4N)F)I

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CC3=NC4=C(N3CCCBr)N=C(N=C4N)F)I

InChI

InChI=1S/C16H14BrFIN5O2/c17-2-1-3-24-12(21-13-14(20)22-16(18)23-15(13)24)5-8-4-10-11(6-9(8)19)26-7-25-10/h4,6H,1-3,5,7H2,(H2,20,22,23)