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

Systemtic Name: 2-[2-(4-pentoxyphenyl)ethynyl]-5-propyl-pyrimidine Openeye Name: 2-[2-(4-pentoxyphenyl)ethynyl]-5-propyl-pyrimidine CAS Name: 2-[2-(4-pentoxyphenyl)ethynyl]-5-propylpyrimidine IUPAC Name: 2-[2-(4-pentoxyphenyl)ethynyl]-5-propylpyrimidine Traditional Name: 2-[2-(4-amoxyphenyl)ethynyl]-5-propyl-pyrimidine Formula: C20H24N2O MolecularWeight: 308.41736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O/c1-3-5-6-14-23-19-11-8-17(9-12-19)10-13-20-21-15-18(7-4-2)16-22-20/h8-9,11-12,15-16H,3-7,14H2,1-2H3