2-[2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)ethanoyl-(carboxymethyl)amino]ethylazanium

Systemtic Name: 2-[2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)ethanoyl-(carboxymethyl)amino]ethylazanium Openeye Name: 2-[[2-(2-amino-6-oxo-3H-purin-9-yl)acetyl]-(carboxymethyl)amino]ethylammonium CAS Name: 2-[[2-(2-amino-6-oxo-3H-purin-9-yl)-1-oxoethyl]-(carboxymethyl)amino]ethylammonium IUPAC Name: 2-[[2-(2-amino-6-oxo-3H-purin-9-yl)acetyl]-(carboxymethyl)amino]ethylazanium Traditional Name: 2-[[2-(2-amino-6-keto-3H-purin-9-yl)acetyl]-(carboxymethyl)amino]ethylammonium Formula: C11H16N7O4+ MolecularWeight: 310.28924

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CC(=O)N(CC[NH3+])CC(=O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1CC(=O)N(CC[NH3+])CC(=O)O)NC(=NC2=O)N

InChI

InChI=1S/C11H15N7O4/c12-1-2-17(4-7(20)21)6(19)3-18-5-14-8-9(18)15-11(13)16-10(8)22/h5H,1-4,12H2,(H,20,21)(H3,13,15,16,22)/p+1