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

Systemtic Name: 2-[2,3-bis(fluoranyl)-4-(4-prop-1-ynylphenyl)phenyl]-5-propyl-pyrimidine Openeye Name: 2-[2,3-difluoro-4-(4-prop-1-ynylphenyl)phenyl]-5-propyl-pyrimidine CAS Name: 2-[2,3-difluoro-4-(4-prop-1-ynylphenyl)phenyl]-5-propylpyrimidine IUPAC Name: 2-[2,3-difluoro-4-(4-prop-1-ynylphenyl)phenyl]-5-propylpyrimidine Traditional Name: 2-[2,3-difluoro-4-(4-prop-1-ynylphenyl)phenyl]-5-propyl-pyrimidine Formula: C22H18F2N2 MolecularWeight: 348.388526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(N=C1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)C#CC)F)F

Isomeric SMILES

CCCC1=CN=C(N=C1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)C#CC)F)F

InChI

InChI=1S/C22H18F2N2/c1-3-5-15-7-9-17(10-8-15)18-11-12-19(21(24)20(18)23)22-25-13-16(6-4-2)14-26-22/h7-14H,4,6H2,1-2H3