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3,7-dihydropurin-6-one; phosphoric acid; pyridine-3-carboxamide

3,7-dihydropurin-6-one; phosphoric acid; pyridine-3-carboxamide

Systemtic Name:3,7-dihydropurin-6-one; phosphoric acid; pyridine-3-carboxamide
Openeye Name:3,7-dihydropurin-6-one; phosphoric acid; pyridine-3-carboxamide
CAS Name:3,7-dihydropurin-6-one; phosphoric acid; 3-pyridinecarboxamide
IUPAC Name:3,7-dihydropurin-6-one; phosphoric acid; pyridine-3-carboxamide
Traditional Name:3,7-dihydropurin-6-one; nicotinamide; phosphoric acid
Formula: C11H16N6O10P2
MolecularWeight: 454.226462
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)N.C1=NC2=C(N1)C(=O)N=CN2.OP(=O)(O)O.OP(=O)(O)O


Isomeric SMILES

C1=CC(=CN=C1)C(=O)N.C1=NC2=C(N1)C(=O)N=CN2.OP(=O)(O)O.OP(=O)(O)O


InChI

InChI=1S/C6H6N2O.C5H4N4O.2H3O4P/c7-6(9)5-2-1-3-8-4-5;10-5-3-4(7-1-6-3)8-2-9-5;2*1-5(2,3)4/h1-4H,(H2,7,9);1-2H,(H2,6,7,8,9,10);2*(H3,1,2,3,4)


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