2,5-bis[2-(4-butoxyphenyl)ethynyl]pyrimidine

Systemtic Name: 2,5-bis[2-(4-butoxyphenyl)ethynyl]pyrimidine Openeye Name: 2,5-bis[2-(4-butoxyphenyl)ethynyl]pyrimidine CAS Name: 2,5-bis[2-(4-butoxyphenyl)ethynyl]pyrimidine IUPAC Name: 2,5-bis[2-(4-butoxyphenyl)ethynyl]pyrimidine Traditional Name: 2,5-bis[2-(4-butoxyphenyl)ethynyl]pyrimidine Formula: C28H28N2O2 MolecularWeight: 424.53412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C#CC2=CN=C(N=C2)C#CC3=CC=C(C=C3)OCCCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C#CC2=CN=C(N=C2)C#CC3=CC=C(C=C3)OCCCC

InChI

InChI=1S/C28H28N2O2/c1-3-5-19-31-26-14-9-23(10-15-26)7-8-25-21-29-28(30-22-25)18-13-24-11-16-27(17-12-24)32-20-6-4-2/h9-12,14-17,21-22H,3-6,19-20H2,1-2H3