2-[4-[[6-(5-bromanyl-2-ethoxy-phenyl)pyrimidin-4-yl]amino]phenyl]ethanol

Systemtic Name: 2-[4-[[6-(5-bromanyl-2-ethoxy-phenyl)pyrimidin-4-yl]amino]phenyl]ethanol Openeye Name: 2-[4-[[6-(5-bromo-2-ethoxy-phenyl)pyrimidin-4-yl]amino]phenyl]ethanol CAS Name: 2-[4-[[6-(5-bromo-2-ethoxyphenyl)-4-pyrimidinyl]amino]phenyl]ethanol IUPAC Name: 2-[4-[[6-(5-bromo-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol Traditional Name: 2-[4-[[6-(5-bromo-2-ethoxy-phenyl)pyrimidin-4-yl]amino]phenyl]ethanol Formula: C20H20BrN3O2 MolecularWeight: 414.2957

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN3O2/c1-2-26-19-8-5-15(21)11-17(19)18-12-20(23-13-22-18)24-16-6-3-14(4-7-16)9-10-25/h3-8,11-13,25H,2,9-10H2,1H3,(H,22,23,24)