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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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