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5-decoxy-2-[2-fluoranyl-4-(7-fluoranyloctyl)phenyl]pyrimidine

5-decoxy-2-[2-fluoranyl-4-(7-fluoranyloctyl)phenyl]pyrimidine

Systemtic Name:5-decoxy-2-[2-fluoranyl-4-(7-fluoranyloctyl)phenyl]pyrimidine
Openeye Name:5-decoxy-2-[2-fluoro-4-(7-fluorooctyl)phenyl]pyrimidine
CAS Name:5-decoxy-2-[2-fluoro-4-(7-fluorooctyl)phenyl]pyrimidine
IUPAC Name:5-decoxy-2-[2-fluoro-4-(7-fluorooctyl)phenyl]pyrimidine
Traditional Name:5-decoxy-2-[2-fluoro-4-(7-fluorooctyl)phenyl]pyrimidine
Formula: C28H42F2N2O
MolecularWeight: 460.642686
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C28H42F2N2O/c1-3-4-5-6-7-8-11-14-19-33-25-21-31-28(32-22-25)26-18-17-24(20-27(26)30)16-13-10-9-12-15-23(2)29/h17-18,20-23H,3-16,19H2,1-2H3


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