2-azanyl-9-(2-hydroxyethyloxymethyl)-7-methyl-purin-9-ium-6-olate; sulfuric acid

Systemtic Name: 2-azanyl-9-(2-hydroxyethyloxymethyl)-7-methyl-purin-9-ium-6-olate; sulfuric acid Openeye Name: 2-amino-9-(2-hydroxyethoxymethyl)-7-methyl-purin-9-ium-6-olate; sulfuric acid CAS Name: 2-amino-9-(2-hydroxyethoxymethyl)-7-methyl-6-purin-9-iumolate; sulfuric acid IUPAC Name: 2-amino-9-(2-hydroxyethoxymethyl)-7-methylpurin-9-ium-6-olate; sulfuric acid Traditional Name: 2-amino-9-(2-hydroxyethoxymethyl)-7-methyl-purin-9-ium-6-olate; sulfuric acid Formula: C9H15N5O7S MolecularWeight: 337.3097

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C2=C1C(=NC(=N2)N)[O-])COCCO.OS(=O)(=O)O

Isomeric SMILES

CN1C=[N+](C2=C1C(=NC(=N2)N)[O-])COCCO.OS(=O)(=O)O

InChI

InChI=1S/C9H13N5O3.H2O4S/c1-13-4-14(5-17-3-2-15)7-6(13)8(16)12-9(10)11-7;1-5(2,3)4/h4,15H,2-3,5H2,1H3,(H2-,10,11,12,16);(H2,1,2,3,4)