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

Systemtic Name: 2-[3-[[6-azanyl-2-(2-methoxyethylamino)-8-oxidanylidene-7H-purin-9-yl]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[6-amino-2-(2-methoxyethylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetic acid CAS Name: 2-[3-[[6-amino-2-(2-methoxyethylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[6-amino-2-(2-methoxyethylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[6-amino-8-keto-2-(2-methoxyethylamino)-7H-purin-9-yl]methyl]phenyl]acetic acid Formula: C17H20N6O4 MolecularWeight: 372.3785

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)CC(=O)O

Isomeric SMILES

COCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)CC(=O)O

InChI

InChI=1S/C17H20N6O4/c1-27-6-5-19-16-21-14(18)13-15(22-16)23(17(26)20-13)9-11-4-2-3-10(7-11)8-12(24)25/h2-4,7H,5-6,8-9H2,1H3,(H,20,26)(H,24,25)(H3,18,19,21,22)