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

Systemtic Name: 2-[3-[[6-azanyl-2-(2-hydroxyethyloxy)-8-oxidanylidene-7H-purin-9-yl]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[6-amino-2-(2-hydroxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetic acid CAS Name: 2-[3-[[6-amino-2-(2-hydroxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[6-amino-2-(2-hydroxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[6-amino-2-(2-hydroxyethoxy)-8-keto-7H-purin-9-yl]methyl]phenyl]acetic acid Formula: C16H17N5O5 MolecularWeight: 359.33668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C3=C(C(=NC(=N3)OCCO)N)NC2=O)CC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CN2C3=C(C(=NC(=N3)OCCO)N)NC2=O)CC(=O)O

InChI

InChI=1S/C16H17N5O5/c17-13-12-14(20-15(19-13)26-5-4-22)21(16(25)18-12)8-10-3-1-2-9(6-10)7-11(23)24/h1-3,6,22H,4-5,7-8H2,(H,18,25)(H,23,24)(H2,17,19,20)