3-[(2-azanyl-6-chloranyl-pyrimidin-4-yl)amino]benzoic acid

Systemtic Name: 3-[(2-azanyl-6-chloranyl-pyrimidin-4-yl)amino]benzoic acid Openeye Name: 3-[(2-amino-6-chloro-pyrimidin-4-yl)amino]benzoic acid CAS Name: 3-[(2-amino-6-chloro-4-pyrimidinyl)amino]benzoic acid IUPAC Name: 3-[(2-amino-6-chloropyrimidin-4-yl)amino]benzoic acid Traditional Name: 3-[(2-amino-6-chloro-pyrimidin-4-yl)amino]benzoic acid Formula: C11H9ClN4O2 MolecularWeight: 264.66776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=CC(=NC(=N2)N)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC2=CC(=NC(=N2)N)Cl)C(=O)O

InChI

InChI=1S/C11H9ClN4O2/c12-8-5-9(16-11(13)15-8)14-7-3-1-2-6(4-7)10(17)18/h1-5H,(H,17,18)(H3,13,14,15,16)