4-chloranyl-5-fluoranyl-2-[3-(methylamino)-1-pyrimidin-2-yl-propoxy]benzenecarbonitrile hydrochloride

Systemtic Name: 4-chloranyl-5-fluoranyl-2-[3-(methylamino)-1-pyrimidin-2-yl-propoxy]benzenecarbonitrile hydrochloride Openeye Name: 4-chloro-5-fluoro-2-[3-(methylamino)-1-pyrimidin-2-yl-propoxy]benzonitrile hydrochloride CAS Name: 4-chloro-5-fluoro-2-[3-(methylamino)-1-(2-pyrimidinyl)propoxy]benzonitrile hydrochloride IUPAC Name: 4-chloro-5-fluoro-2-[3-(methylamino)-1-pyrimidin-2-ylpropoxy]benzonitrile hydrochloride Traditional Name: 4-chloro-5-fluoro-2-[3-(methylamino)-1-(2-pyrimidyl)propoxy]benzonitrile hydrochloride Formula: C15H15Cl2FN4O MolecularWeight: 357.210203

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC(C1=NC=CC=N1)OC2=CC(=C(C=C2C#N)F)Cl.Cl

Isomeric SMILES

CNCCC(C1=NC=CC=N1)OC2=CC(=C(C=C2C#N)F)Cl.Cl

InChI

InChI=1S/C15H14ClFN4O.ClH/c1-19-6-3-13(15-20-4-2-5-21-15)22-14-8-11(16)12(17)7-10(14)9-18;/h2,4-5,7-8,13,19H,3,6H2,1H3;1H