3-methyl-5-(2-pyrimidin-5-ylethynyl)benzenecarbonitrile hydrochloride

Systemtic Name: 3-methyl-5-(2-pyrimidin-5-ylethynyl)benzenecarbonitrile hydrochloride Openeye Name: 3-methyl-5-(2-pyrimidin-5-ylethynyl)benzonitrile hydrochloride CAS Name: 3-methyl-5-[2-(5-pyrimidinyl)ethynyl]benzonitrile hydrochloride IUPAC Name: 3-methyl-5-(2-pyrimidin-5-ylethynyl)benzonitrile hydrochloride Traditional Name: 3-methyl-5-[2-(5-pyrimidyl)ethynyl]benzonitrile hydrochloride Formula: C14H10ClN3 MolecularWeight: 255.7023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C#N)C#CC2=CN=CN=C2.Cl

Isomeric SMILES

CC1=CC(=CC(=C1)C#N)C#CC2=CN=CN=C2.Cl

InChI

InChI=1S/C14H9N3.ClH/c1-11-4-12(6-14(5-11)7-15)2-3-13-8-16-10-17-9-13;/h4-6,8-10H,1H3;1H