5-butyl-2-[2-[4-(4-pentylcyclohexyl)phenyl]ethynyl]pyrimidine

Systemtic Name: 5-butyl-2-[2-[4-(4-pentylcyclohexyl)phenyl]ethynyl]pyrimidine Openeye Name: 5-butyl-2-[2-[4-(4-pentylcyclohexyl)phenyl]ethynyl]pyrimidine CAS Name: 5-butyl-2-[2-[4-(4-pentylcyclohexyl)phenyl]ethynyl]pyrimidine IUPAC Name: 5-butyl-2-[2-[4-(4-pentylcyclohexyl)phenyl]ethynyl]pyrimidine Traditional Name: 2-[2-[4-(4-amylcyclohexyl)phenyl]ethynyl]-5-butyl-pyrimidine Formula: C27H36N2 MolecularWeight: 388.58814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C#CC3=NC=C(C=N3)CCCC

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C#CC3=NC=C(C=N3)CCCC

InChI

InChI=1S/C27H36N2/c1-3-5-7-9-22-10-15-25(16-11-22)26-17-12-23(13-18-26)14-19-27-28-20-24(21-29-27)8-6-4-2/h12-13,17-18,20-22,25H,3-11,15-16H2,1-2H3