2-[[5-bromanyl-2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 2-[[5-bromanyl-2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 2-[[5-bromo-2-(3-hydroxyanilino)pyrimidin-4-yl]amino]benzoic acid CAS Name: 2-[[5-bromo-2-(3-hydroxyanilino)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 2-[[5-bromo-2-(3-hydroxyanilino)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 2-[[5-bromo-2-(3-hydroxyanilino)pyrimidin-4-yl]amino]benzoic acid Formula: C17H13BrN4O3 MolecularWeight: 401.21412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC2=NC(=NC=C2Br)NC3=CC(=CC=C3)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC2=NC(=NC=C2Br)NC3=CC(=CC=C3)O

InChI

InChI=1S/C17H13BrN4O3/c18-13-9-19-17(20-10-4-3-5-11(23)8-10)22-15(13)21-14-7-2-1-6-12(14)16(24)25/h1-9,23H,(H,24,25)(H2,19,20,21,22)