2-[2-(6-aminopurin-9-yl)ethanoyl-(carboxymethyl)amino]ethylazanium

Systemtic Name: 2-[2-(6-aminopurin-9-yl)ethanoyl-(carboxymethyl)amino]ethylazanium Openeye Name: 2-[[2-(6-aminopurin-9-yl)acetyl]-(carboxymethyl)amino]ethylammonium CAS Name: 2-[[2-(6-aminopurin-9-yl)-1-oxoethyl]-(carboxymethyl)amino]ethylammonium IUPAC Name: 2-[[2-(6-aminopurin-9-yl)acetyl]-(carboxymethyl)amino]ethylazanium Traditional Name: 2-[(2-adenin-9-ylacetyl)-(carboxymethyl)amino]ethylammonium Formula: C11H16N7O3+ MolecularWeight: 294.28984

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2CC(=O)N(CC[NH3+])CC(=O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2CC(=O)N(CC[NH3+])CC(=O)O

InChI

InChI=1S/C11H15N7O3/c12-1-2-17(4-8(20)21)7(19)3-18-6-16-9-10(13)14-5-15-11(9)18/h5-6H,1-4,12H2,(H,20,21)(H2,13,14,15)/p+1