4-[5,7-bis(azanyl)-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl]benzoic acid

Systemtic Name: 4-[5,7-bis(azanyl)-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl]benzoic acid Openeye Name: 4-(5,7-diaminotriazolo[4,5-d]pyrimidin-2-yl)benzoic acid CAS Name: 4-(5,7-diamino-2-triazolo[4,5-d]pyrimidinyl)benzoic acid IUPAC Name: 4-(5,7-diaminotriazolo[4,5-d]pyrimidin-2-yl)benzoic acid Traditional Name: 4-(5,7-diaminotriazolo[4,5-d]pyrimidin-2-yl)benzoic acid Formula: C11H9N7O2 MolecularWeight: 271.23486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N2N=C3C(=NC(=NC3=N2)N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N2N=C3C(=NC(=NC3=N2)N)N

InChI

InChI=1S/C11H9N7O2/c12-8-7-9(15-11(13)14-8)17-18(16-7)6-3-1-5(2-4-6)10(19)20/h1-4H,(H,19,20)(H4,12,13,14,15,17)