6-azanyl-3,9-dihydropurin-9-ium-2-one disulfate

Systemtic Name: 6-azanyl-3,9-dihydropurin-9-ium-2-one disulfate Openeye Name: 6-amino-3,9-dihydropurin-9-ium-2-one disulfate CAS Name: 6-amino-3,9-dihydropurin-9-ium-2-one disulfate IUPAC Name: 6-amino-3,9-dihydropurin-9-ium-2-one disulfate Traditional Name: 6-amino-3,9-dihydropurin-9-ium-2-one disulfate Formula: C20H24N20O12S2 MolecularWeight: 800.66136

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C([NH2+]1)NC(=O)N=C2N.C1=NC2=C([NH2+]1)NC(=O)N=C2N.C1=NC2=C([NH2+]1)NC(=O)N=C2N.C1=NC2=C([NH2+]1)NC(=O)N=C2N.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=NC2=C([NH2+]1)NC(=O)N=C2N.C1=NC2=C([NH2+]1)NC(=O)N=C2N.C1=NC2=C([NH2+]1)NC(=O)N=C2N.C1=NC2=C([NH2+]1)NC(=O)N=C2N.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]

InChI

InChI=1S/4C5H5N5O.2H2O4S/c4*6-3-2-4(8-1-7-2)10-5(11)9-3;2*1-5(2,3)4/h4*1H,(H4,6,7,8,9,10,11);2*(H2,1,2,3,4)