8-(2-azanylethyl)-1,3-dimethyl-purin-3-ium-2,6-dione

Systemtic Name: 8-(2-azanylethyl)-1,3-dimethyl-purin-3-ium-2,6-dione Openeye Name: 8-(2-aminoethyl)-1,3-dimethyl-purin-3-ium-2,6-dione CAS Name: 8-(2-aminoethyl)-1,3-dimethylpurin-3-ium-2,6-dione IUPAC Name: 8-(2-aminoethyl)-1,3-dimethylpurin-3-ium-2,6-dione Traditional Name: 8-(2-aminoethyl)-1,3-dimethyl-purin-3-ium-2,6-quinone Formula: C9H12N5O2+ MolecularWeight: 222.22388

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=NC(=NC2=[N+](C1=O)C)CCN

Isomeric SMILES

CN1C(=O)C2=NC(=NC2=[N+](C1=O)C)CCN

InChI

InChI=1S/C9H12N5O2/c1-13-7-6(8(15)14(2)9(13)16)11-5(12-7)3-4-10/h3-4,10H2,1-2H3/q+1