5-chloranyl-2-[2-(4-pentoxyphenyl)ethynyl]pyrimidine

Systemtic Name: 5-chloranyl-2-[2-(4-pentoxyphenyl)ethynyl]pyrimidine Openeye Name: 5-chloro-2-[2-(4-pentoxyphenyl)ethynyl]pyrimidine CAS Name: 5-chloro-2-[2-(4-pentoxyphenyl)ethynyl]pyrimidine IUPAC Name: 5-chloro-2-[2-(4-pentoxyphenyl)ethynyl]pyrimidine Traditional Name: 2-[2-(4-amoxyphenyl)ethynyl]-5-chloro-pyrimidine Formula: C17H17ClN2O MolecularWeight: 300.78268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C#CC2=NC=C(C=N2)Cl

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C#CC2=NC=C(C=N2)Cl

InChI

InChI=1S/C17H17ClN2O/c1-2-3-4-11-21-16-8-5-14(6-9-16)7-10-17-19-12-15(18)13-20-17/h5-6,8-9,12-13H,2-4,11H2,1H3