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

Systemtic Name: 3-[(5-bromanyl-4-phenylazanyl-pyrimidin-2-yl)amino]benzoic acid Openeye Name: 3-[(4-anilino-5-bromo-pyrimidin-2-yl)amino]benzoic acid CAS Name: 3-[(4-anilino-5-bromo-2-pyrimidinyl)amino]benzoic acid IUPAC Name: 3-[(4-anilino-5-bromopyrimidin-2-yl)amino]benzoic acid Traditional Name: 3-[(4-anilino-5-bromo-pyrimidin-2-yl)amino]benzoic acid Formula: C17H13BrN4O2 MolecularWeight: 385.21472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrN4O2/c18-14-10-19-17(21-13-8-4-5-11(9-13)16(23)24)22-15(14)20-12-6-2-1-3-7-12/h1-10H,(H,23,24)(H2,19,20,21,22)