5-hexyl-2-[2-(4-propoxyphenyl)ethynyl]pyrimidine

Systemtic Name: 5-hexyl-2-[2-(4-propoxyphenyl)ethynyl]pyrimidine Openeye Name: 5-hexyl-2-[2-(4-propoxyphenyl)ethynyl]pyrimidine CAS Name: 5-hexyl-2-[2-(4-propoxyphenyl)ethynyl]pyrimidine IUPAC Name: 5-hexyl-2-[2-(4-propoxyphenyl)ethynyl]pyrimidine Traditional Name: 5-hexyl-2-[2-(4-propoxyphenyl)ethynyl]pyrimidine Formula: C21H26N2O MolecularWeight: 322.44394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C#CC2=CC=C(C=C2)OCCC

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C#CC2=CC=C(C=C2)OCCC

InChI

InChI=1S/C21H26N2O/c1-3-5-6-7-8-19-16-22-21(23-17-19)14-11-18-9-12-20(13-10-18)24-15-4-2/h9-10,12-13,16-17H,3-8,15H2,1-2H3