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

Systemtic Name: 2-[3-[[6-azanyl-8-oxidanylidene-2-(oxolan-2-ylmethoxy)-7H-purin-9-yl]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[6-amino-8-oxo-2-(tetrahydrofuran-2-ylmethoxy)-7H-purin-9-yl]methyl]phenyl]acetic acid CAS Name: 2-[3-[[6-amino-8-oxo-2-(2-oxolanylmethoxy)-7H-purin-9-yl]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[6-amino-8-oxo-2-(oxolan-2-ylmethoxy)-7H-purin-9-yl]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[6-amino-8-keto-2-(tetrahydrofurfuryloxy)-7H-purin-9-yl]methyl]phenyl]acetic acid Formula: C19H21N5O5 MolecularWeight: 399.40054

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC2=NC3=C(C(=N2)N)NC(=O)N3CC4=CC=CC(=C4)CC(=O)O

Isomeric SMILES

C1CC(OC1)COC2=NC3=C(C(=N2)N)NC(=O)N3CC4=CC=CC(=C4)CC(=O)O

InChI

InChI=1S/C19H21N5O5/c20-16-15-17(23-18(22-16)29-10-13-5-2-6-28-13)24(19(27)21-15)9-12-4-1-3-11(7-12)8-14(25)26/h1,3-4,7,13H,2,5-6,8-10H2,(H,21,27)(H,25,26)(H2,20,22,23)