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

Systemtic Name: 3-[[5-fluoranyl-2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl]amino]benzenecarbonitrile Openeye Name: 3-[[5-fluoro-2-(3-hydroxyanilino)pyrimidin-4-yl]amino]benzonitrile CAS Name: 3-[[5-fluoro-2-(3-hydroxyanilino)-4-pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[5-fluoro-2-(3-hydroxyanilino)pyrimidin-4-yl]amino]benzonitrile Traditional Name: 3-[[5-fluoro-2-(3-hydroxyanilino)pyrimidin-4-yl]amino]benzonitrile Formula: C17H12FN5O MolecularWeight: 321.308483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12FN5O/c18-15-10-20-17(22-13-5-2-6-14(24)8-13)23-16(15)21-12-4-1-3-11(7-12)9-19/h1-8,10,24H,(H2,20,21,22,23)