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

Systemtic Name: 4-[2-(3-chloranyl-5-pyridin-3-yloxy-phenyl)ethynyl]-2-methyl-pyrimidine Openeye Name: 4-[2-[3-chloro-5-(3-pyridyloxy)phenyl]ethynyl]-2-methyl-pyrimidine CAS Name: 4-[2-[3-chloro-5-(3-pyridinyloxy)phenyl]ethynyl]-2-methylpyrimidine IUPAC Name: 4-[2-(3-chloro-5-pyridin-3-yloxyphenyl)ethynyl]-2-methylpyrimidine Traditional Name: 4-[2-[3-chloro-5-(3-pyridyloxy)phenyl]ethynyl]-2-methyl-pyrimidine Formula: C18H12ClN3O MolecularWeight: 321.76038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClN3O/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