2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; phosphoric acid; pyridine-3-carboxamide

Systemtic Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; phosphoric acid; pyridine-3-carboxamide Openeye Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; phosphoric acid; pyridine-3-carboxamide CAS Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; phosphoric acid; 3-pyridinecarboxamide IUPAC Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; phosphoric acid; pyridine-3-carboxamide Traditional Name: 2-adenin-9-yl-5-methylol-tetrahydrofuran-3,4-diol; nicotinamide; phosphoric acid Formula: C16H25N7O13P2 MolecularWeight: 585.356322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)N.C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O.OP(=O)(O)O.OP(=O)(O)O

Isomeric SMILES

C1=CC(=CN=C1)C(=O)N.C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O.OP(=O)(O)O.OP(=O)(O)O

InChI

InChI=1S/C10H13N5O4.C6H6N2O.2H3O4P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;7-6(9)5-2-1-3-8-4-5;2*1-5(2,3)4/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13);1-4H,(H2,7,9);2*(H3,1,2,3,4)