2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-6-fluoro-benzonitrile CAS Name: 2-[(4,6-dimethoxy-5-pyrimidinyl)methylamino]-6-fluorobenzonitrile IUPAC Name: 2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-6-fluorobenzonitrile Traditional Name: 2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-6-fluoro-benzonitrile Formula: C14H13FN4O2 MolecularWeight: 288.277023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=NC=N1)OC)CNC2=C(C(=CC=C2)F)C#N

Isomeric SMILES

COC1=C(C(=NC=N1)OC)CNC2=C(C(=CC=C2)F)C#N

InChI

InChI=1S/C14H13FN4O2/c1-20-13-10(14(21-2)19-8-18-13)7-17-12-5-3-4-11(15)9(12)6-16/h3-5,8,17H,7H2,1-2H3