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

Systemtic Name: N-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-2-bromanyl-ethanamide Openeye Name: N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-2-bromo-acetamide CAS Name: N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl]-2-bromoacetamide IUPAC Name: N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-bromoacetamide Traditional Name: N-[(5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl]-2-bromo-acetamide Formula: C12H15BrN6O4 MolecularWeight: 387.1893

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15BrN6O4/c13-1-6(20)15-2-5-8(21)9(22)12(23-5)19-4-18-7-10(14)16-3-17-11(7)19/h3-5,8-9,12,21-22H,1-2H2,(H,15,20)(H2,14,16,17)