5-[[2-[(3-cyano-4-oxidanyl-phenyl)amino]-5-fluoranyl-pyrimidin-4-yl]amino]-2-oxidanyl-benzenecarbonitrile

Systemtic Name: 5-[[2-[(3-cyano-4-oxidanyl-phenyl)amino]-5-fluoranyl-pyrimidin-4-yl]amino]-2-oxidanyl-benzenecarbonitrile Openeye Name: 5-[[2-(3-cyano-4-hydroxy-anilino)-5-fluoro-pyrimidin-4-yl]amino]-2-hydroxy-benzonitrile CAS Name: 5-[[2-(3-cyano-4-hydroxyanilino)-5-fluoro-4-pyrimidinyl]amino]-2-hydroxybenzonitrile IUPAC Name: 5-[[2-(3-cyano-4-hydroxyanilino)-5-fluoropyrimidin-4-yl]amino]-2-hydroxybenzonitrile Traditional Name: 5-[[2-(3-cyano-4-hydroxy-anilino)-5-fluoro-pyrimidin-4-yl]amino]-2-hydroxy-benzonitrile Formula: C18H11FN6O2 MolecularWeight: 362.317343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=NC(=NC=C2F)NC3=CC(=C(C=C3)O)C#N)C#N)O

Isomeric SMILES

C1=CC(=C(C=C1NC2=NC(=NC=C2F)NC3=CC(=C(C=C3)O)C#N)C#N)O

InChI

InChI=1S/C18H11FN6O2/c19-14-9-22-18(24-13-2-4-16(27)11(6-13)8-21)25-17(14)23-12-1-3-15(26)10(5-12)7-20/h1-6,9,26-27H,(H2,22,23,24,25)