4-[2-(3-chloranyl-5-pyridin-3-yloxy-phenyl)ethynyl]-2-methyl-pyrimidine hydrochloride

Systemtic Name: 4-[2-(3-chloranyl-5-pyridin-3-yloxy-phenyl)ethynyl]-2-methyl-pyrimidine hydrochloride Openeye Name: 4-[2-[3-chloro-5-(3-pyridyloxy)phenyl]ethynyl]-2-methyl-pyrimidine hydrochloride CAS Name: 4-[2-[3-chloro-5-(3-pyridinyloxy)phenyl]ethynyl]-2-methylpyrimidine hydrochloride IUPAC Name: 4-[2-(3-chloro-5-pyridin-3-yloxyphenyl)ethynyl]-2-methylpyrimidine hydrochloride Traditional Name: 4-[2-[3-chloro-5-(3-pyridyloxy)phenyl]ethynyl]-2-methyl-pyrimidine hydrochloride Formula: C18H13Cl2N3O MolecularWeight: 358.22132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C#CC2=CC(=CC(=C2)Cl)OC3=CN=CC=C3.Cl

Isomeric SMILES

CC1=NC=CC(=N1)C#CC2=CC(=CC(=C2)Cl)OC3=CN=CC=C3.Cl

InChI

InChI=1S/C18H12ClN3O.ClH/c1-13-21-8-6-16(22-13)5-4-14-9-15(19)11-18(10-14)23-17-3-2-7-20-12-17;/h2-3,6-12H,1H3;1H