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

Systemtic Name: 7-(2-ethoxyethyl)-8-(3-ethoxypropylamino)-3-methyl-5H-purin-7-ium-2,6-dione Openeye Name: 7-(2-ethoxyethyl)-8-(3-ethoxypropylamino)-3-methyl-5H-purin-7-ium-2,6-dione CAS Name: 7-(2-ethoxyethyl)-8-(3-ethoxypropylamino)-3-methyl-5H-purin-7-ium-2,6-dione IUPAC Name: 7-(2-ethoxyethyl)-8-(3-ethoxypropylamino)-3-methyl-5H-purin-7-ium-2,6-dione Traditional Name: 7-(2-ethoxyethyl)-8-(3-ethoxypropylamino)-3-methyl-5H-purin-7-ium-2,6-quinone Formula: C15H26N5O4+ MolecularWeight: 340.39804

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=[N+](C2C(=O)NC(=O)N(C2=N1)C)CCOCC

Isomeric SMILES

CCOCCCNC1=[N+](C2C(=O)NC(=O)N(C2=N1)C)CCOCC

InChI

InChI=1S/C15H25N5O4/c1-4-23-9-6-7-16-14-17-12-11(20(14)8-10-24-5-2)13(21)18-15(22)19(12)3/h11H,4-10H2,1-3H3,(H,18,21,22)/p+1