4-(7H-purin-6-ylmethylamino)benzoic acid

Systemtic Name: 4-(7H-purin-6-ylmethylamino)benzoic acid Openeye Name: 4-(7H-purin-6-ylmethylamino)benzoic acid CAS Name: 4-(7H-purin-6-ylmethylamino)benzoic acid IUPAC Name: 4-(7H-purin-6-ylmethylamino)benzoic acid Traditional Name: 4-(7H-purin-6-ylmethylamino)benzoic acid Formula: C13H11N5O2 MolecularWeight: 269.25874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCC2=C3C(=NC=N2)N=CN3

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCC2=C3C(=NC=N2)N=CN3

InChI

InChI=1S/C13H11N5O2/c19-13(20)8-1-3-9(4-2-8)14-5-10-11-12(17-6-15-10)18-7-16-11/h1-4,6-7,14H,5H2,(H,19,20)(H,15,16,17,18)