4-[[2-azanyl-6-(5-bromanyl-2-ethoxy-phenyl)pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[2-azanyl-6-(5-bromanyl-2-ethoxy-phenyl)pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[2-amino-6-(5-bromo-2-ethoxy-phenyl)pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[2-amino-6-(5-bromo-2-ethoxyphenyl)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[2-amino-6-(5-bromo-2-ethoxyphenyl)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[2-amino-6-(5-bromo-2-ethoxy-phenyl)pyrimidin-4-yl]amino]benzoic acid Formula: C19H17BrN4O3 MolecularWeight: 429.26728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C2=CC(=NC(=N2)N)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C2=CC(=NC(=N2)N)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H17BrN4O3/c1-2-27-16-8-5-12(20)9-14(16)15-10-17(24-19(21)23-15)22-13-6-3-11(4-7-13)18(25)26/h3-10H,2H2,1H3,(H,25,26)(H3,21,22,23,24)