2-fluoranyl-5-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-5-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]benzenecarbonitrile Openeye Name: 2-fluoro-5-[2-(4-morpholinoanilino)pyrimidin-4-yl]benzonitrile CAS Name: 2-fluoro-5-[2-[4-(4-morpholinyl)anilino]-4-pyrimidinyl]benzonitrile IUPAC Name: 2-fluoro-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]benzonitrile Traditional Name: 2-fluoro-5-[2-(4-morpholinoanilino)pyrimidin-4-yl]benzonitrile Formula: C21H18FN5O MolecularWeight: 375.398923

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC(=C(C=C4)F)C#N

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC(=C(C=C4)F)C#N

InChI

InChI=1S/C21H18FN5O/c22-19-6-1-15(13-16(19)14-23)20-7-8-24-21(26-20)25-17-2-4-18(5-3-17)27-9-11-28-12-10-27/h1-8,13H,9-12H2,(H,24,25,26)