[1-[5-(6-azanyl-2-iodanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-propyl] hypobromite

Systemtic Name: [1-[5-(6-azanyl-2-iodanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-propyl] hypobromite Openeye Name: [1-[5-(6-amino-2-iodo-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-oxo-propyl] hypobromite CAS Name: hypobromous acid [1-[5-(6-amino-2-iodo-9-purinyl)-3,4-dihydroxy-2-oxolanyl]-2-oxopropyl] ester IUPAC Name: [1-[5-(6-amino-2-iodopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-2-oxopropyl] hypobromite Traditional Name: hypobromous acid [1-[5-(6-amino-2-iodo-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-keto-propyl] ester Formula: C12H13BrIN5O5 MolecularWeight: 514.07059

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)I)O)O)OBr

Isomeric SMILES

CC(=O)C(C1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)I)O)O)OBr

InChI

InChI=1S/C12H13BrIN5O5/c1-3(20)7(24-13)8-5(21)6(22)11(23-8)19-2-16-4-9(15)17-12(14)18-10(4)19/h2,5-8,11,21-22H,1H3,(H2,15,17,18)