phosphoric acid; 7H-purin-6-amine; pyridine-3-carboxamide

Systemtic Name: phosphoric acid; 7H-purin-6-amine; pyridine-3-carboxamide Openeye Name: phosphoric acid; 7H-purin-6-amine; pyridine-3-carboxamide CAS Name: phosphoric acid; 7H-purin-6-amine; 3-pyridinecarboxamide IUPAC Name: phosphoric acid; 7H-purin-6-amine; pyridine-3-carboxamide Traditional Name: 7H-adenine; nicotinamide; phosphoric acid Formula: C11H17N7O9P2 MolecularWeight: 453.241702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)N.C1=NC2=C(N1)C(=NC=N2)N.OP(=O)(O)O.OP(=O)(O)O

Isomeric SMILES

C1=CC(=CN=C1)C(=O)N.C1=NC2=C(N1)C(=NC=N2)N.OP(=O)(O)O.OP(=O)(O)O

InChI

InChI=1S/C6H6N2O.C5H5N5.2H3O4P/c7-6(9)5-2-1-3-8-4-5;6-4-3-5(9-1-7-3)10-2-8-4;2*1-5(2,3)4/h1-4H,(H2,7,9);1-2H,(H3,6,7,8,9,10);2*(H3,1,2,3,4)