2,6-bis(azanyl)-7,9-dihydropurin-8-one; sulfuric acid; hydrate

Systemtic Name: 2,6-bis(azanyl)-7,9-dihydropurin-8-one; sulfuric acid; hydrate Openeye Name: 2,6-diamino-7,9-dihydropurin-8-one; sulfuric acid; hydrate CAS Name: 2,6-diamino-7,9-dihydropurin-8-one; sulfuric acid; hydrate IUPAC Name: 2,6-diamino-7,9-dihydropurin-8-one; sulfuric acid; hydrate Traditional Name: 2,6-diamino-7,9-dihydropurin-8-one; sulfuric acid; hydrate Formula: C10H16N12O7S MolecularWeight: 448.37524

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Descriptors Computed from Structure

Canonical SMILES:

C12=C(NC(=O)N1)N=C(N=C2N)N.C12=C(NC(=O)N1)N=C(N=C2N)N.O.OS(=O)(=O)O

Isomeric SMILES

C12=C(NC(=O)N1)N=C(N=C2N)N.C12=C(NC(=O)N1)N=C(N=C2N)N.O.OS(=O)(=O)O

InChI

InChI=1S/2C5H6N6O.H2O4S.H2O/c2*6-2-1-3(10-4(7)9-2)11-5(12)8-1;1-5(2,3)4;/h2*(H6,6,7,8,9,10,11,12);(H2,1,2,3,4);1H2