3-(2-hydroxyethyl)-7-methyl-9H-purin-7-ium-2,6-dione

Systemtic Name: 3-(2-hydroxyethyl)-7-methyl-9H-purin-7-ium-2,6-dione Openeye Name: 3-(2-hydroxyethyl)-7-methyl-9H-purin-7-ium-2,6-dione CAS Name: 3-(2-hydroxyethyl)-7-methyl-9H-purin-7-ium-2,6-dione IUPAC Name: 3-(2-hydroxyethyl)-7-methyl-9H-purin-7-ium-2,6-dione Traditional Name: 3-(2-hydroxyethyl)-7-methyl-9H-purin-7-ium-2,6-quinone Formula: C8H11N4O3+ MolecularWeight: 211.19794

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CNC2=C1C(=O)NC(=O)N2CCO

Isomeric SMILES

C[N+]1=CNC2=C1C(=O)NC(=O)N2CCO

InChI

InChI=1S/C8H10N4O3/c1-11-4-9-6-5(11)7(14)10-8(15)12(6)2-3-13/h4,13H,2-3H2,1H3,(H,10,14,15)/p+1