4-[2-[2,6-bis(azanyl)-7H-purin-8-yl]ethylamino]benzoic acid

Systemtic Name: 4-[2-[2,6-bis(azanyl)-7H-purin-8-yl]ethylamino]benzoic acid Openeye Name: 4-[2-(2,6-diamino-7H-purin-8-yl)ethylamino]benzoic acid CAS Name: 4-[2-(2,6-diamino-7H-purin-8-yl)ethylamino]benzoic acid IUPAC Name: 4-[2-(2,6-diamino-7H-purin-8-yl)ethylamino]benzoic acid Traditional Name: 4-[2-(2,6-diamino-7H-purin-8-yl)ethylamino]benzoic acid Formula: C14H15N7O2 MolecularWeight: 313.3146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCCC2=NC3=C(N2)C(=NC(=N3)N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCCC2=NC3=C(N2)C(=NC(=N3)N)N

InChI

InChI=1S/C14H15N7O2/c15-11-10-12(21-14(16)20-11)19-9(18-10)5-6-17-8-3-1-7(2-4-8)13(22)23/h1-4,17H,5-6H2,(H,22,23)(H5,15,16,18,19,20,21)