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

Systemtic Name: 2-[2-[4-(4-butylcyclohexyl)phenyl]ethynyl]-5-propoxy-pyrimidine Openeye Name: 2-[2-[4-(4-butylcyclohexyl)phenyl]ethynyl]-5-propoxy-pyrimidine CAS Name: 2-[2-[4-(4-butylcyclohexyl)phenyl]ethynyl]-5-propoxypyrimidine IUPAC Name: 2-[2-[4-(4-butylcyclohexyl)phenyl]ethynyl]-5-propoxypyrimidine Traditional Name: 2-[2-[4-(4-butylcyclohexyl)phenyl]ethynyl]-5-propoxy-pyrimidine Formula: C25H32N2O MolecularWeight: 376.53438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C2=CC=C(C=C2)C#CC3=NC=C(C=N3)OCCC

Isomeric SMILES

CCCCC1CCC(CC1)C2=CC=C(C=C2)C#CC3=NC=C(C=N3)OCCC

InChI

InChI=1S/C25H32N2O/c1-3-5-6-20-7-12-22(13-8-20)23-14-9-21(10-15-23)11-16-25-26-18-24(19-27-25)28-17-4-2/h9-10,14-15,18-20,22H,3-8,12-13,17H2,1-2H3