4-[2,6-bis(azanyl)pyrimidin-4-yl]benzoic acid

Systemtic Name: 4-[2,6-bis(azanyl)pyrimidin-4-yl]benzoic acid Openeye Name: 4-(2,6-diaminopyrimidin-4-yl)benzoic acid CAS Name: 4-(2,6-diamino-4-pyrimidinyl)benzoic acid IUPAC Name: 4-(2,6-diaminopyrimidin-4-yl)benzoic acid Traditional Name: 4-(2,6-diaminopyrimidin-4-yl)benzoic acid Formula: C11H10N4O2 MolecularWeight: 230.2227

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=NC(=N2)N)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=NC(=N2)N)N)C(=O)O

InChI

InChI=1S/C11H10N4O2/c12-9-5-8(14-11(13)15-9)6-1-3-7(4-2-6)10(16)17/h1-5H,(H,16,17)(H4,12,13,14,15)