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

Systemtic Name: 3-[[2-[(3-cyanophenyl)amino]-5-fluoranyl-pyrimidin-4-yl]amino]benzenecarbonitrile Openeye Name: 3-[[2-(3-cyanoanilino)-5-fluoro-pyrimidin-4-yl]amino]benzonitrile CAS Name: 3-[[2-(3-cyanoanilino)-5-fluoro-4-pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[2-(3-cyanoanilino)-5-fluoropyrimidin-4-yl]amino]benzonitrile Traditional Name: 3-[[2-(3-cyanoanilino)-5-fluoro-pyrimidin-4-yl]amino]benzonitrile Formula: C18H11FN6 MolecularWeight: 330.318543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11FN6/c19-16-11-22-18(24-15-6-2-4-13(8-15)10-21)25-17(16)23-14-5-1-3-12(7-14)9-20/h1-8,11H,(H2,22,23,24,25)