4-chloranyl-5-fluoranyl-3-(methylamino)-2-(1-pyrimidin-2-ylpropoxy)benzenecarbonitrile hydrochloride

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14ClFN4O.ClH/c1-3-11(15-20-5-4-6-21-15)22-14-9(8-18)7-10(17)12(16)13(14)19-2;/h4-7,11,19H,3H2,1-2H3;1H