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

Systemtic Name: 5-decoxy-2-[2-fluoranyl-4-(6-fluoranylheptyl)phenyl]pyrimidine Openeye Name: 5-decoxy-2-[2-fluoro-4-(6-fluoroheptyl)phenyl]pyrimidine CAS Name: 5-decoxy-2-[2-fluoro-4-(6-fluoroheptyl)phenyl]pyrimidine IUPAC Name: 5-decoxy-2-[2-fluoro-4-(6-fluoroheptyl)phenyl]pyrimidine Traditional Name: 5-decoxy-2-[2-fluoro-4-(6-fluoroheptyl)phenyl]pyrimidine Formula: C27H40F2N2O MolecularWeight: 446.616106

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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

Isomeric SMILES

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

InChI

InChI=1S/C27H40F2N2O/c1-3-4-5-6-7-8-9-13-18-32-24-20-30-27(31-21-24)25-17-16-23(19-26(25)29)15-12-10-11-14-22(2)28/h16-17,19-22H,3-15,18H2,1-2H3