5-chloranyl-8-fluoranyl-4-[(2-methylpyrimidin-4-yl)methylamino]quinoline-3-carbonitrile

Systemtic Name: 5-chloranyl-8-fluoranyl-4-[(2-methylpyrimidin-4-yl)methylamino]quinoline-3-carbonitrile Openeye Name: 5-chloro-8-fluoro-4-[(2-methylpyrimidin-4-yl)methylamino]quinoline-3-carbonitrile CAS Name: 5-chloro-8-fluoro-4-[(2-methyl-4-pyrimidinyl)methylamino]-3-quinolinecarbonitrile IUPAC Name: 5-chloro-8-fluoro-4-[(2-methylpyrimidin-4-yl)methylamino]quinoline-3-carbonitrile Traditional Name: 5-chloro-8-fluoro-4-[(2-methylpyrimidin-4-yl)methylamino]quinoline-3-carbonitrile Formula: C16H11ClFN5 MolecularWeight: 327.743443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)CNC2=C(C=NC3=C(C=CC(=C32)Cl)F)C#N

Isomeric SMILES

CC1=NC=CC(=N1)CNC2=C(C=NC3=C(C=CC(=C32)Cl)F)C#N

InChI

InChI=1S/C16H11ClFN5/c1-9-20-5-4-11(23-9)8-22-15-10(6-19)7-21-16-13(18)3-2-12(17)14(15)16/h2-5,7H,8H2,1H3,(H,21,22)