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

Systemtic Name: 2-[2,3-bis(fluoranyl)-4-(5-fluoranylhexyl)phenyl]-5-decoxy-pyrimidine Openeye Name: 5-decoxy-2-[2,3-difluoro-4-(5-fluorohexyl)phenyl]pyrimidine CAS Name: 5-decoxy-2-[2,3-difluoro-4-(5-fluorohexyl)phenyl]pyrimidine IUPAC Name: 5-decoxy-2-[2,3-difluoro-4-(5-fluorohexyl)phenyl]pyrimidine Traditional Name: 5-decoxy-2-[2,3-difluoro-4-(5-fluorohexyl)phenyl]pyrimidine Formula: C26H37F3N2O MolecularWeight: 450.57999

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37F3N2O/c1-3-4-5-6-7-8-9-12-17-32-22-18-30-26(31-19-22)23-16-15-21(24(28)25(23)29)14-11-10-13-20(2)27/h15-16,18-20H,3-14,17H2,1-2H3