2-[4-[(2-azanyl-7H-purin-6-yl)oxy]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(2-azanyl-7H-purin-6-yl)oxy]phenyl]ethanoic acid Openeye Name: 2-[4-[(2-amino-7H-purin-6-yl)oxy]phenyl]acetic acid CAS Name: 2-[4-[(2-amino-7H-purin-6-yl)oxy]phenyl]acetic acid IUPAC Name: 2-[4-[(2-amino-7H-purin-6-yl)oxy]phenyl]acetic acid Traditional Name: 2-[4-[(2-amino-7H-purin-6-yl)oxy]phenyl]acetic acid Formula: C13H11N5O3 MolecularWeight: 285.25814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)OC2=NC(=NC3=C2NC=N3)N

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)OC2=NC(=NC3=C2NC=N3)N

InChI

InChI=1S/C13H11N5O3/c14-13-17-11-10(15-6-16-11)12(18-13)21-8-3-1-7(2-4-8)5-9(19)20/h1-4,6H,5H2,(H,19,20)(H3,14,15,16,17,18)