2-[5-[(6-azanyl-2-ethoxy-8-oxidanylidene-7H-purin-9-yl)methyl]-2-methoxy-phenyl]ethanoic acid

Systemtic Name: 2-[5-[(6-azanyl-2-ethoxy-8-oxidanylidene-7H-purin-9-yl)methyl]-2-methoxy-phenyl]ethanoic acid Openeye Name: 2-[5-[(6-amino-2-ethoxy-8-oxo-7H-purin-9-yl)methyl]-2-methoxy-phenyl]acetic acid CAS Name: 2-[5-[(6-amino-2-ethoxy-8-oxo-7H-purin-9-yl)methyl]-2-methoxyphenyl]acetic acid IUPAC Name: 2-[5-[(6-amino-2-ethoxy-8-oxo-7H-purin-9-yl)methyl]-2-methoxyphenyl]acetic acid Traditional Name: 2-[5-[(6-amino-2-ethoxy-8-keto-7H-purin-9-yl)methyl]-2-methoxy-phenyl]acetic acid Formula: C17H19N5O5 MolecularWeight: 373.36326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC(=C(C=C3)OC)CC(=O)O

Isomeric SMILES

CCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC(=C(C=C3)OC)CC(=O)O

InChI

InChI=1S/C17H19N5O5/c1-3-27-16-20-14(18)13-15(21-16)22(17(25)19-13)8-9-4-5-11(26-2)10(6-9)7-12(23)24/h4-6H,3,7-8H2,1-2H3,(H,19,25)(H,23,24)(H2,18,20,21)