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

Systemtic Name: 8-(3-ethoxypropylamino)-7-hexyl-3-methyl-5H-purin-7-ium-2,6-dione Openeye Name: 8-(3-ethoxypropylamino)-7-hexyl-3-methyl-5H-purin-7-ium-2,6-dione CAS Name: 8-(3-ethoxypropylamino)-7-hexyl-3-methyl-5H-purin-7-ium-2,6-dione IUPAC Name: 8-(3-ethoxypropylamino)-7-hexyl-3-methyl-5H-purin-7-ium-2,6-dione Traditional Name: 8-(3-ethoxypropylamino)-7-hexyl-3-methyl-5H-purin-7-ium-2,6-quinone Formula: C17H30N5O3+ MolecularWeight: 352.4518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1=C(N=C2C1C(=O)NC(=O)N2C)NCCCOCC

Isomeric SMILES

CCCCCC[N+]1=C(N=C2C1C(=O)NC(=O)N2C)NCCCOCC

InChI

InChI=1S/C17H29N5O3/c1-4-6-7-8-11-22-13-14(21(3)17(24)20-15(13)23)19-16(22)18-10-9-12-25-5-2/h13H,4-12H2,1-3H3,(H,20,23,24)/p+1