5-hexoxy-2-[2-(4-pentylphenyl)ethynyl]pyrimidine

Systemtic Name: 5-hexoxy-2-[2-(4-pentylphenyl)ethynyl]pyrimidine Openeye Name: 5-hexoxy-2-[2-(4-pentylphenyl)ethynyl]pyrimidine CAS Name: 5-hexoxy-2-[2-(4-pentylphenyl)ethynyl]pyrimidine IUPAC Name: 5-hexoxy-2-[2-(4-pentylphenyl)ethynyl]pyrimidine Traditional Name: 2-[2-(4-amylphenyl)ethynyl]-5-hexoxy-pyrimidine Formula: C23H30N2O MolecularWeight: 350.4971

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CN=C(N=C1)C#CC2=CC=C(C=C2)CCCCC

Isomeric SMILES

CCCCCCOC1=CN=C(N=C1)C#CC2=CC=C(C=C2)CCCCC

InChI

InChI=1S/C23H30N2O/c1-3-5-7-9-17-26-22-18-24-23(25-19-22)16-15-21-13-11-20(12-14-21)10-8-6-4-2/h11-14,18-19H,3-10,17H2,1-2H3