2-[2,3-bis(fluoranyl)-4-(6-fluoranylheptyl)phenyl]-5-decoxy-pyrimidine

Systemtic Name: 2-[2,3-bis(fluoranyl)-4-(6-fluoranylheptyl)phenyl]-5-decoxy-pyrimidine Openeye Name: 5-decoxy-2-[2,3-difluoro-4-(6-fluoroheptyl)phenyl]pyrimidine CAS Name: 5-decoxy-2-[2,3-difluoro-4-(6-fluoroheptyl)phenyl]pyrimidine IUPAC Name: 5-decoxy-2-[2,3-difluoro-4-(6-fluoroheptyl)phenyl]pyrimidine Traditional Name: 5-decoxy-2-[2,3-difluoro-4-(6-fluoroheptyl)phenyl]pyrimidine Formula: C27H39F3N2O MolecularWeight: 464.60657

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CN=C(N=C1)C2=C(C(=C(C=C2)CCCCCC(C)F)F)F

Isomeric SMILES

CCCCCCCCCCOC1=CN=C(N=C1)C2=C(C(=C(C=C2)CCCCCC(C)F)F)F

InChI

InChI=1S/C27H39F3N2O/c1-3-4-5-6-7-8-9-13-18-33-23-19-31-27(32-20-23)24-17-16-22(25(29)26(24)30)15-12-10-11-14-21(2)28/h16-17,19-21H,3-15,18H2,1-2H3