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

Systemtic Name: 5-octyl-2-[2-(4-pentoxyphenyl)ethynyl]pyrimidine Openeye Name: 5-octyl-2-[2-(4-pentoxyphenyl)ethynyl]pyrimidine CAS Name: 5-octyl-2-[2-(4-pentoxyphenyl)ethynyl]pyrimidine IUPAC Name: 5-octyl-2-[2-(4-pentoxyphenyl)ethynyl]pyrimidine Traditional Name: 2-[2-(4-amoxyphenyl)ethynyl]-5-octyl-pyrimidine Formula: C25H34N2O MolecularWeight: 378.55026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C#CC2=CC=C(C=C2)OCCCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C#CC2=CC=C(C=C2)OCCCCC

InChI

InChI=1S/C25H34N2O/c1-3-5-7-8-9-10-12-23-20-26-25(27-21-23)18-15-22-13-16-24(17-14-22)28-19-11-6-4-2/h13-14,16-17,20-21H,3-12,19H2,1-2H3