[4-[2-[2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)propanoylamino]ethylamino]-2-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium

Systemtic Name: [4-[2-[2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)propanoylamino]ethylamino]-2-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium Openeye Name: [4-[2-[2-(2-amino-6-oxo-3H-purin-9-yl)propanoylamino]ethylamino]-2-hydroxy-4-oxo-butyl]-trimethyl-ammonium CAS Name: [4-[2-[[2-(2-amino-6-oxo-3H-purin-9-yl)-1-oxopropyl]amino]ethylamino]-2-hydroxy-4-oxobutyl]-trimethylammonium IUPAC Name: [4-[2-[2-(2-amino-6-oxo-3H-purin-9-yl)propanoylamino]ethylamino]-2-hydroxy-4-oxobutyl]-trimethylazanium Traditional Name: [4-[2-[2-(2-amino-6-keto-3H-purin-9-yl)propanoylamino]ethylamino]-2-hydroxy-4-keto-butyl]-trimethyl-ammonium Formula: C17H29N8O4+ MolecularWeight: 409.46336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCNC(=O)CC(C[N+](C)(C)C)O)N1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

CC(C(=O)NCCNC(=O)CC(C[N+](C)(C)C)O)N1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C17H28N8O4/c1-10(24-9-21-13-14(24)22-17(18)23-16(13)29)15(28)20-6-5-19-12(27)7-11(26)8-25(2,3)4/h9-11,26H,5-8H2,1-4H3,(H4-,18,19,20,22,23,27,28,29)/p+1