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

Systemtic Name: 2-[4-[[2-azanyl-6-(5-bromanyl-2-ethoxy-phenyl)pyrimidin-4-yl]amino]phenyl]ethanoic acid Openeye Name: 2-[4-[[2-amino-6-(5-bromo-2-ethoxy-phenyl)pyrimidin-4-yl]amino]phenyl]acetic acid CAS Name: 2-[4-[[2-amino-6-(5-bromo-2-ethoxyphenyl)-4-pyrimidinyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[2-amino-6-(5-bromo-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]acetic acid Traditional Name: 2-[4-[[2-amino-6-(5-bromo-2-ethoxy-phenyl)pyrimidin-4-yl]amino]phenyl]acetic acid Formula: C20H19BrN4O3 MolecularWeight: 443.29386

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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)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN4O3/c1-2-28-17-8-5-13(21)10-15(17)16-11-18(25-20(22)24-16)23-14-6-3-12(4-7-14)9-19(26)27/h3-8,10-11H,2,9H2,1H3,(H,26,27)(H3,22,23,24,25)