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

Systemtic Name: 2-[3-[(6-azanyl-2-ethoxy-8-oxidanylidene-7H-purin-9-yl)methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[(6-amino-2-ethoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]acetic acid CAS Name: 2-[3-[(6-amino-2-ethoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]acetic acid IUPAC Name: 2-[3-[(6-amino-2-ethoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]acetic acid Traditional Name: 2-[3-[(6-amino-2-ethoxy-8-keto-7H-purin-9-yl)methyl]phenyl]acetic acid Formula: C16H17N5O4 MolecularWeight: 343.33728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O4/c1-2-25-15-19-13(17)12-14(20-15)21(16(24)18-12)8-10-5-3-4-9(6-10)7-11(22)23/h3-6H,2,7-8H2,1H3,(H,18,24)(H,22,23)(H2,17,19,20)