2-[2-[4-(4-butylcyclohexyl)phenyl]ethynyl]-5-pentyl-pyrimidine

Systemtic Name: 2-[2-[4-(4-butylcyclohexyl)phenyl]ethynyl]-5-pentyl-pyrimidine Openeye Name: 2-[2-[4-(4-butylcyclohexyl)phenyl]ethynyl]-5-pentyl-pyrimidine CAS Name: 2-[2-[4-(4-butylcyclohexyl)phenyl]ethynyl]-5-pentylpyrimidine IUPAC Name: 2-[2-[4-(4-butylcyclohexyl)phenyl]ethynyl]-5-pentylpyrimidine Traditional Name: 5-amyl-2-[2-[4-(4-butylcyclohexyl)phenyl]ethynyl]pyrimidine Formula: C27H36N2 MolecularWeight: 388.58814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C#CC2=CC=C(C=C2)C3CCC(CC3)CCCC

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C#CC2=CC=C(C=C2)C3CCC(CC3)CCCC

InChI

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