5-decyl-2-[4-(2-fluoranylheptoxy)phenyl]pyrimidine

Systemtic Name: 5-decyl-2-[4-(2-fluoranylheptoxy)phenyl]pyrimidine Openeye Name: 5-decyl-2-[4-(2-fluoroheptoxy)phenyl]pyrimidine CAS Name: 5-decyl-2-[4-(2-fluoroheptoxy)phenyl]pyrimidine IUPAC Name: 5-decyl-2-[4-(2-fluoroheptoxy)phenyl]pyrimidine Traditional Name: 5-decyl-2-[4-(2-fluoroheptoxy)phenyl]pyrimidine Formula: C27H41FN2O MolecularWeight: 428.625643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC(CCCCC)F

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC(CCCCC)F

InChI

InChI=1S/C27H41FN2O/c1-3-5-7-8-9-10-11-13-14-23-20-29-27(30-21-23)24-16-18-26(19-17-24)31-22-25(28)15-12-6-4-2/h16-21,25H,3-15,22H2,1-2H3