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

Systemtic Name: 2-[4-[[2-azanyl-6-(5-bromanyl-2-ethoxy-phenyl)pyrimidin-4-yl]amino]phenoxy]ethanol Openeye Name: 2-[4-[[2-amino-6-(5-bromo-2-ethoxy-phenyl)pyrimidin-4-yl]amino]phenoxy]ethanol CAS Name: 2-[4-[[2-amino-6-(5-bromo-2-ethoxyphenyl)-4-pyrimidinyl]amino]phenoxy]ethanol IUPAC Name: 2-[4-[[2-amino-6-(5-bromo-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenoxy]ethanol Traditional Name: 2-[4-[[2-amino-6-(5-bromo-2-ethoxy-phenyl)pyrimidin-4-yl]amino]phenoxy]ethanol Formula: C20H21BrN4O3 MolecularWeight: 445.30974

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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)OCCO

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN4O3/c1-2-27-18-8-3-13(21)11-16(18)17-12-19(25-20(22)24-17)23-14-4-6-15(7-5-14)28-10-9-26/h3-8,11-12,26H,2,9-10H2,1H3,(H3,22,23,24,25)