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

Systemtic Name: 4-[[5-bromanyl-4-(4-methoxyphenoxy)pyrimidin-2-yl]amino]benzoic acid Openeye Name: 4-[[5-bromo-4-(4-methoxyphenoxy)pyrimidin-2-yl]amino]benzoic acid CAS Name: 4-[[5-bromo-4-(4-methoxyphenoxy)-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-bromo-4-(4-methoxyphenoxy)pyrimidin-2-yl]amino]benzoic acid Traditional Name: 4-[[5-bromo-4-(4-methoxyphenoxy)pyrimidin-2-yl]amino]benzoic acid Formula: C18H14BrN3O4 MolecularWeight: 416.22546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=NC(=NC=C2Br)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)OC2=NC(=NC=C2Br)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H14BrN3O4/c1-25-13-6-8-14(9-7-13)26-16-15(19)10-20-18(22-16)21-12-4-2-11(3-5-12)17(23)24/h2-10H,1H3,(H,23,24)(H,20,21,22)