N-[2-[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanyl-ethyl]-2-bromanyl-ethanamide

Systemtic Name: N-[2-[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanyl-ethyl]-2-bromanyl-ethanamide Openeye Name: N-[2-[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-hydroxy-ethyl]-2-bromo-acetamide CAS Name: N-[2-[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]-2-hydroxyethyl]-2-bromoacetamide IUPAC Name: N-[2-[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-2-bromoacetamide Traditional Name: N-[2-(5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)-2-hydroxy-ethyl]-2-bromo-acetamide Formula: C13H17BrN6O5 MolecularWeight: 417.21528

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)C(CNC(=O)CBr)O)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)C(CNC(=O)CBr)O)O)O

InChI

InChI=1S/C13H17BrN6O5/c14-1-6(22)16-2-5(21)10-8(23)9(24)13(25-10)20-4-19-7-11(15)17-3-18-12(7)20/h3-5,8-10,13,21,23-24H,1-2H2,(H,16,22)(H2,15,17,18)