2-[3-[[6-azanyl-8-oxidanylidene-2-(pyridin-3-ylmethoxy)-7H-purin-9-yl]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[6-azanyl-8-oxidanylidene-2-(pyridin-3-ylmethoxy)-7H-purin-9-yl]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[6-amino-8-oxo-2-(3-pyridylmethoxy)-7H-purin-9-yl]methyl]phenyl]acetic acid CAS Name: 2-[3-[[6-amino-8-oxo-2-(3-pyridinylmethoxy)-7H-purin-9-yl]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[6-amino-8-oxo-2-(pyridin-3-ylmethoxy)-7H-purin-9-yl]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[6-amino-8-keto-2-(3-pyridylmethoxy)-7H-purin-9-yl]methyl]phenyl]acetic acid Formula: C20H18N6O4 MolecularWeight: 406.39472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C3=C(C(=NC(=N3)OCC4=CN=CC=C4)N)NC2=O)CC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CN2C3=C(C(=NC(=N3)OCC4=CN=CC=C4)N)NC2=O)CC(=O)O

InChI

InChI=1S/C20H18N6O4/c21-17-16-18(25-19(24-17)30-11-14-5-2-6-22-9-14)26(20(29)23-16)10-13-4-1-3-12(7-13)8-15(27)28/h1-7,9H,8,10-11H2,(H,23,29)(H,27,28)(H2,21,24,25)