2-azanyl-3,7-dihydropurin-6-one trihydrate hydroiodide

Systemtic Name: 2-azanyl-3,7-dihydropurin-6-one trihydrate hydroiodide Openeye Name: 2-amino-3,7-dihydropurin-6-one trihydrate hydroiodide CAS Name: 2-amino-3,7-dihydropurin-6-one trihydrate hydroiodide IUPAC Name: 2-amino-3,7-dihydropurin-6-one trihydrate hydroiodide Traditional Name: 2-amino-3,7-dihydropurin-6-one trihydrate hydroiodide Formula: C10H17IN10O5 MolecularWeight: 484.21045

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=O)N=C(N2)N.C1=NC2=C(N1)C(=O)N=C(N2)N.O.O.O.I

Isomeric SMILES

C1=NC2=C(N1)C(=O)N=C(N2)N.C1=NC2=C(N1)C(=O)N=C(N2)N.O.O.O.I

InChI

InChI=1S/2C5H5N5O.HI.3H2O/c2*6-5-9-3-2(4(11)10-5)7-1-8-3;;;;/h2*1H,(H4,6,7,8,9,10,11);1H;3*1H2