4-[2-[2,6-bis(azanyl)-5H-purin-8-yl]ethylamino]benzoic acid

Systemtic Name: 4-[2-[2,6-bis(azanyl)-5H-purin-8-yl]ethylamino]benzoic acid Openeye Name: 4-[2-(2,6-diamino-5H-purin-8-yl)ethylamino]benzoic acid CAS Name: 4-[2-(2,6-diamino-5H-purin-8-yl)ethylamino]benzoic acid IUPAC Name: 4-[2-(2,6-diamino-5H-purin-8-yl)ethylamino]benzoic acid Traditional Name: 4-[2-(2,6-diamino-5H-purin-8-yl)ethylamino]benzoic acid Formula: C14H15N7O2 MolecularWeight: 313.3146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCCC2=NC3C(=NC(=NC3=N2)N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCCC2=NC3C(=NC(=NC3=N2)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/h1-4,10,17H,5-6H2,(H,22,23)(H4,15,16,18,19,20,21)