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

Systemtic Name: 4-[[2,6-bis(azanyl)-5H-purin-8-yl]methylamino]benzoic acid Openeye Name: 4-[(2,6-diamino-5H-purin-8-yl)methylamino]benzoic acid CAS Name: 4-[(2,6-diamino-5H-purin-8-yl)methylamino]benzoic acid IUPAC Name: 4-[(2,6-diamino-5H-purin-8-yl)methylamino]benzoic acid Traditional Name: 4-[(2,6-diamino-5H-purin-8-yl)methylamino]benzoic acid Formula: C13H13N7O2 MolecularWeight: 299.28802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCC2=NC3C(=NC(=NC3=N2)N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCC2=NC3C(=NC(=NC3=N2)N)N

InChI

InChI=1S/C13H13N7O2/c14-10-9-11(20-13(15)19-10)18-8(17-9)5-16-7-3-1-6(2-4-7)12(21)22/h1-4,9,16H,5H2,(H,21,22)(H4,14,15,17,18,19,20)