2-[(2-azanyl-6-phenylmethoxy-purin-9-yl)-ethanoyl-amino]ethanoic acid

Systemtic Name: 2-[(2-azanyl-6-phenylmethoxy-purin-9-yl)-ethanoyl-amino]ethanoic acid Openeye Name: 2-[acetyl-(2-amino-6-benzyloxy-purin-9-yl)amino]acetic acid CAS Name: 2-[acetyl-(2-amino-6-phenylmethoxy-9-purinyl)amino]acetic acid IUPAC Name: 2-[acetyl-(2-amino-6-phenylmethoxypurin-9-yl)amino]acetic acid Traditional Name: 2-[acetyl-(2-amino-6-benzoxy-purin-9-yl)amino]acetic acid Formula: C16H16N6O4 MolecularWeight: 356.33604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC(=O)O)N1C=NC2=C1N=C(N=C2OCC3=CC=CC=C3)N

Isomeric SMILES

CC(=O)N(CC(=O)O)N1C=NC2=C1N=C(N=C2OCC3=CC=CC=C3)N

InChI

InChI=1S/C16H16N6O4/c1-10(23)21(7-12(24)25)22-9-18-13-14(22)19-16(17)20-15(13)26-8-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,24,25)(H2,17,19,20)