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

Systemtic Name: 3-[6-azanyl-9-[[3-(carboxymethyl)phenyl]methyl]-8-oxidanylidene-7H-purin-2-yl]propanoic acid Openeye Name: 3-[6-amino-9-[[3-(carboxymethyl)phenyl]methyl]-8-oxo-7H-purin-2-yl]propanoic acid CAS Name: 3-[6-amino-9-[[3-(carboxymethyl)phenyl]methyl]-8-oxo-7H-purin-2-yl]propanoic acid IUPAC Name: 3-[6-amino-9-[[3-(carboxymethyl)phenyl]methyl]-8-oxo-7H-purin-2-yl]propanoic acid Traditional Name: 3-[6-amino-9-[3-(carboxymethyl)benzyl]-8-keto-7H-purin-2-yl]propionic acid Formula: C17H17N5O5 MolecularWeight: 371.34738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O5/c18-15-14-16(20-11(19-15)4-5-12(23)24)22(17(27)21-14)8-10-3-1-2-9(6-10)7-13(25)26/h1-3,6H,4-5,7-8H2,(H,21,27)(H,23,24)(H,25,26)(H2,18,19,20)