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

Systemtic Name: 5-butyl-2-[2-[4-(trifluoromethyloxy)phenyl]ethynyl]pyrimidine Openeye Name: 5-butyl-2-[2-[4-(trifluoromethoxy)phenyl]ethynyl]pyrimidine CAS Name: 5-butyl-2-[2-[4-(trifluoromethoxy)phenyl]ethynyl]pyrimidine IUPAC Name: 5-butyl-2-[2-[4-(trifluoromethoxy)phenyl]ethynyl]pyrimidine Traditional Name: 5-butyl-2-[2-[4-(trifluoromethoxy)phenyl]ethynyl]pyrimidine Formula: C17H15F3N2O MolecularWeight: 320.30901

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(N=C1)C#CC2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

CCCCC1=CN=C(N=C1)C#CC2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C17H15F3N2O/c1-2-3-4-14-11-21-16(22-12-14)10-7-13-5-8-15(9-6-13)23-17(18,19)20/h5-6,8-9,11-12H,2-4H2,1H3