2-(4-decoxyphenyl)-5-(3-fluoranylnonyl)pyrimidine

Systemtic Name: 2-(4-decoxyphenyl)-5-(3-fluoranylnonyl)pyrimidine Openeye Name: 2-(4-decoxyphenyl)-5-(3-fluorononyl)pyrimidine CAS Name: 2-(4-decoxyphenyl)-5-(3-fluorononyl)pyrimidine IUPAC Name: 2-(4-decoxyphenyl)-5-(3-fluorononyl)pyrimidine Traditional Name: 2-(4-decoxyphenyl)-5-(3-fluorononyl)pyrimidine Formula: C29H45FN2O MolecularWeight: 456.678803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)CCC(CCCCCC)F

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)CCC(CCCCCC)F

InChI

InChI=1S/C29H45FN2O/c1-3-5-7-9-10-11-12-14-22-33-28-20-17-26(18-21-28)29-31-23-25(24-32-29)16-19-27(30)15-13-8-6-4-2/h17-18,20-21,23-24,27H,3-16,19,22H2,1-2H3