7-(2-ethoxyethyl)-8-(2-methoxyethylamino)-3-methyl-5H-purin-7-ium-2,6-dione

Systemtic Name: 7-(2-ethoxyethyl)-8-(2-methoxyethylamino)-3-methyl-5H-purin-7-ium-2,6-dione Openeye Name: 7-(2-ethoxyethyl)-8-(2-methoxyethylamino)-3-methyl-5H-purin-7-ium-2,6-dione CAS Name: 7-(2-ethoxyethyl)-8-(2-methoxyethylamino)-3-methyl-5H-purin-7-ium-2,6-dione IUPAC Name: 7-(2-ethoxyethyl)-8-(2-methoxyethylamino)-3-methyl-5H-purin-7-ium-2,6-dione Traditional Name: 7-(2-ethoxyethyl)-8-(2-methoxyethylamino)-3-methyl-5H-purin-7-ium-2,6-quinone Formula: C13H22N5O4+ MolecularWeight: 312.34488

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC[N+]1=C(N=C2C1C(=O)NC(=O)N2C)NCCOC

Isomeric SMILES

CCOCC[N+]1=C(N=C2C1C(=O)NC(=O)N2C)NCCOC

InChI

InChI=1S/C13H21N5O4/c1-4-22-8-6-18-9-10(15-12(18)14-5-7-21-3)17(2)13(20)16-11(9)19/h9H,4-8H2,1-3H3,(H,16,19,20)/p+1