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

Systemtic Name: 5-decyl-2-[4-(4-fluoranylheptoxy)phenyl]pyrimidine Openeye Name: 5-decyl-2-[4-(4-fluoroheptoxy)phenyl]pyrimidine CAS Name: 5-decyl-2-[4-(4-fluoroheptoxy)phenyl]pyrimidine IUPAC Name: 5-decyl-2-[4-(4-fluoroheptoxy)phenyl]pyrimidine Traditional Name: 5-decyl-2-[4-(4-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)OCCCC(CCC)F

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCCC(CCC)F

InChI

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