8-(2-azanylethylamino)-3-methyl-purin-3-ium-2,6-dione

Systemtic Name: 8-(2-azanylethylamino)-3-methyl-purin-3-ium-2,6-dione Openeye Name: 8-(2-aminoethylamino)-3-methyl-purin-3-ium-2,6-dione CAS Name: 8-(2-aminoethylamino)-3-methylpurin-3-ium-2,6-dione IUPAC Name: 8-(2-aminoethylamino)-3-methylpurin-3-ium-2,6-dione Traditional Name: 8-(2-aminoethylamino)-3-methyl-purin-3-ium-2,6-quinone Formula: C8H11N6O2+ MolecularWeight: 223.21194

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C(=NC(=N2)NCCN)C(=O)NC1=O

Isomeric SMILES

C[N+]1=C2C(=NC(=N2)NCCN)C(=O)NC1=O

InChI

InChI=1S/C8H10N6O2/c1-14-5-4(6(15)13-8(14)16)11-7(12-5)10-3-2-9/h2-3,9H2,1H3,(H,13,15,16)/p+1