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

Systemtic Name: 2,6-bis(azanyl)-7,9-dihydropurin-8-one; sulfuric acid; dihydrate Openeye Name: 2,6-diamino-7,9-dihydropurin-8-one; sulfuric acid; dihydrate CAS Name: 2,6-diamino-7,9-dihydropurin-8-one; sulfuric acid; dihydrate IUPAC Name: 2,6-diamino-7,9-dihydropurin-8-one; sulfuric acid; dihydrate Traditional Name: 2,6-diamino-7,9-dihydropurin-8-one; sulfuric acid; dihydrate Formula: C10H18N12O8S MolecularWeight: 466.39052

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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.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.O.OS(=O)(=O)O

InChI

InChI=1S/2C5H6N6O.H2O4S.2H2O/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);2*1H2