4-[[4-[[4-(1-cyanoethoxy)phenyl]amino]-5-fluoranyl-pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[[4-(1-cyanoethoxy)phenyl]amino]-5-fluoranyl-pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[4-(1-cyanoethoxy)anilino]-5-fluoro-pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[4-(1-cyanoethoxy)anilino]-5-fluoro-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[4-(1-cyanoethoxy)anilino]-5-fluoropyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[4-(1-cyanoethoxy)anilino]-5-fluoro-pyrimidin-2-yl]amino]benzonitrile Formula: C20H15FN6O MolecularWeight: 374.371103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC1=CC=C(C=C1)NC2=NC(=NC=C2F)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C#N)OC1=CC=C(C=C1)NC2=NC(=NC=C2F)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H15FN6O/c1-13(10-22)28-17-8-6-15(7-9-17)25-19-18(21)12-24-20(27-19)26-16-4-2-14(11-23)3-5-16/h2-9,12-13H,1H3,(H2,24,25,26,27)