3-[[2-azanyl-6-(5-bromanyl-2-ethoxy-phenyl)pyrimidin-4-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[2-azanyl-6-(5-bromanyl-2-ethoxy-phenyl)pyrimidin-4-yl]amino]benzenecarbonitrile Openeye Name: 3-[[2-amino-6-(5-bromo-2-ethoxy-phenyl)pyrimidin-4-yl]amino]benzonitrile CAS Name: 3-[[2-amino-6-(5-bromo-2-ethoxyphenyl)-4-pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[2-amino-6-(5-bromo-2-ethoxyphenyl)pyrimidin-4-yl]amino]benzonitrile Traditional Name: 3-[[2-amino-6-(5-bromo-2-ethoxy-phenyl)pyrimidin-4-yl]amino]benzonitrile Formula: C19H16BrN5O MolecularWeight: 410.26724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrN5O/c1-2-26-17-7-6-13(20)9-15(17)16-10-18(25-19(22)24-16)23-14-5-3-4-12(8-14)11-21/h3-10H,2H2,1H3,(H3,22,23,24,25)