2-[2,3-bis(fluoranyl)-4-(4-prop-1-ynylphenyl)phenyl]-5-pentyl-pyrimidine

Systemtic Name: 2-[2,3-bis(fluoranyl)-4-(4-prop-1-ynylphenyl)phenyl]-5-pentyl-pyrimidine Openeye Name: 2-[2,3-difluoro-4-(4-prop-1-ynylphenyl)phenyl]-5-pentyl-pyrimidine CAS Name: 2-[2,3-difluoro-4-(4-prop-1-ynylphenyl)phenyl]-5-pentylpyrimidine IUPAC Name: 2-[2,3-difluoro-4-(4-prop-1-ynylphenyl)phenyl]-5-pentylpyrimidine Traditional Name: 5-amyl-2-[2,3-difluoro-4-(4-prop-1-ynylphenyl)phenyl]pyrimidine Formula: C24H22F2N2 MolecularWeight: 376.441686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)C#CC)F)F

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)C#CC)F)F

InChI

InChI=1S/C24H22F2N2/c1-3-5-6-8-18-15-27-24(28-16-18)21-14-13-20(22(25)23(21)26)19-11-9-17(7-4-2)10-12-19/h9-16H,3,5-6,8H2,1-2H3