2-[carboxymethyl-[2-[6-(methylamino)purin-9-yl]ethanoyl]amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[2-[6-(methylamino)purin-9-yl]ethanoyl]amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[2-[6-(methylamino)purin-9-yl]acetyl]amino]acetic acid CAS Name: 2-[carboxymethyl-[2-[6-(methylamino)-9-purinyl]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[2-[6-(methylamino)purin-9-yl]acetyl]amino]acetic acid Traditional Name: 2-[carboxymethyl-[2-[6-(methylamino)purin-9-yl]acetyl]amino]acetic acid Formula: C12H14N6O5 MolecularWeight: 322.27676

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=NC2=C1N=CN2CC(=O)N(CC(=O)O)CC(=O)O

Isomeric SMILES

CNC1=NC=NC2=C1N=CN2CC(=O)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C12H14N6O5/c1-13-11-10-12(15-5-14-11)18(6-16-10)2-7(19)17(3-8(20)21)4-9(22)23/h5-6H,2-4H2,1H3,(H,20,21)(H,22,23)(H,13,14,15)