2-[(5-azanyl-6-chloranyl-pyrimidin-4-yl)amino]benzoic acid

Systemtic Name: 2-[(5-azanyl-6-chloranyl-pyrimidin-4-yl)amino]benzoic acid Openeye Name: 2-[(5-amino-6-chloro-pyrimidin-4-yl)amino]benzoic acid CAS Name: 2-[(5-amino-6-chloro-4-pyrimidinyl)amino]benzoic acid IUPAC Name: 2-[(5-amino-6-chloropyrimidin-4-yl)amino]benzoic acid Traditional Name: 2-[(5-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=C(C(=C1)C(=O)O)NC2=C(C(=NC=N2)Cl)N

Isomeric SMILES

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

InChI

InChI=1S/C11H9ClN4O2/c12-9-8(13)10(15-5-14-9)16-7-4-2-1-3-6(7)11(17)18/h1-5H,13H2,(H,17,18)(H,14,15,16)