N-[[3,4-bis(oxidanyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl]-2-bromanyl-ethanamide

Systemtic Name: N-[[3,4-bis(oxidanyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl]-2-bromanyl-ethanamide Openeye Name: 2-bromo-N-[[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl]acetamide CAS Name: 2-bromo-N-[[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl]acetamide IUPAC Name: 2-bromo-N-[[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl]acetamide Traditional Name: 2-bromo-N-[[3,4-dihydroxy-5-(6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl]acetamide Formula: C12H14BrN5O5 MolecularWeight: 388.17406

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)CNC(=O)CBr)O)O

Isomeric SMILES

C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)CNC(=O)CBr)O)O

InChI

InChI=1S/C12H14BrN5O5/c13-1-6(19)14-2-5-8(20)9(21)12(23-5)18-4-17-7-10(18)15-3-16-11(7)22/h3-5,8-9,12,20-21H,1-2H2,(H,14,19)(H,15,16,22)