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

Systemtic Name: 2-[2-[4-(4-butylcyclohexyl)phenyl]ethynyl]-5-methyl-pyrimidine Openeye Name: 2-[2-[4-(4-butylcyclohexyl)phenyl]ethynyl]-5-methyl-pyrimidine CAS Name: 2-[2-[4-(4-butylcyclohexyl)phenyl]ethynyl]-5-methylpyrimidine IUPAC Name: 2-[2-[4-(4-butylcyclohexyl)phenyl]ethynyl]-5-methylpyrimidine Traditional Name: 2-[2-[4-(4-butylcyclohexyl)phenyl]ethynyl]-5-methyl-pyrimidine Formula: C23H28N2 MolecularWeight: 332.48182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2/c1-3-4-5-19-6-11-21(12-7-19)22-13-8-20(9-14-22)10-15-23-24-16-18(2)17-25-23/h8-9,13-14,16-17,19,21H,3-7,11-12H2,1-2H3