2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 1H-1,2,4-triazole-5-carboxamide

Systemtic Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 1H-1,2,4-triazole-5-carboxamide Openeye Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; 1H-1,2,4-triazole-5-carboxamide CAS Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 1H-1,2,4-triazole-5-carboxamide IUPAC Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 1H-1,2,4-triazole-5-carboxamide Traditional Name: 2-adenin-9-yl-5-methylol-tetrahydrofuran-3,4-diol; 1H-1,2,4-triazole-5-carboxamide Formula: C13H17N9O5 MolecularWeight: 379.33138

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O.C1=NNC(=N1)C(=O)N

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O.C1=NNC(=N1)C(=O)N

InChI

InChI=1S/C10H13N5O4.C3H4N4O/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;4-2(8)3-5-1-6-7-3/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13);1H,(H2,4,8)(H,5,6,7)