2-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carbonyl]amino]acetic acid CAS Name: 2-[[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]amino]acetic acid Traditional Name: 2-[(5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-carbonyl)amino]acetic acid Formula: C12H14N6O6 MolecularWeight: 338.27616

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)C(=O)NCC(=O)O)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)C(=O)NCC(=O)O)O)O

InChI

InChI=1S/C12H14N6O6/c13-9-5-10(16-2-15-9)18(3-17-5)12-7(22)6(21)8(24-12)11(23)14-1-4(19)20/h2-3,6-8,12,21-22H,1H2,(H,14,23)(H,19,20)(H2,13,15,16)