2-fluoranyl-5-[2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-5-[2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl]benzenecarbonitrile Openeye Name: 2-fluoro-5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzonitrile CAS Name: 2-fluoro-5-[2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]benzonitrile IUPAC Name: 2-fluoro-5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzonitrile Traditional Name: 2-fluoro-5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzonitrile Formula: C20H17FN4O3 MolecularWeight: 380.372383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=NC=CC(=N2)C3=CC(=C(C=C3)F)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=NC=CC(=N2)C3=CC(=C(C=C3)F)C#N

InChI

InChI=1S/C20H17FN4O3/c1-26-17-9-14(10-18(27-2)19(17)28-3)24-20-23-7-6-16(25-20)12-4-5-15(21)13(8-12)11-22/h4-10H,1-3H3,(H,23,24,25)