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

Systemtic Name: 5-pentoxy-2-[2-(4-pentylphenyl)ethynyl]pyrimidine Openeye Name: 5-pentoxy-2-[2-(4-pentylphenyl)ethynyl]pyrimidine CAS Name: 5-pentoxy-2-[2-(4-pentylphenyl)ethynyl]pyrimidine IUPAC Name: 5-pentoxy-2-[2-(4-pentylphenyl)ethynyl]pyrimidine Traditional Name: 5-amoxy-2-[2-(4-amylphenyl)ethynyl]pyrimidine Formula: C22H28N2O MolecularWeight: 336.47052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C#CC2=NC=C(C=N2)OCCCCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C#CC2=NC=C(C=N2)OCCCCC

InChI

InChI=1S/C22H28N2O/c1-3-5-7-9-19-10-12-20(13-11-19)14-15-22-23-17-21(18-24-22)25-16-8-6-4-2/h10-13,17-18H,3-9,16H2,1-2H3