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

Systemtic Name: 5-(3-fluoranylnonyl)-2-(4-octylphenyl)pyrimidine Openeye Name: 5-(3-fluorononyl)-2-(4-octylphenyl)pyrimidine CAS Name: 5-(3-fluorononyl)-2-(4-octylphenyl)pyrimidine IUPAC Name: 5-(3-fluorononyl)-2-(4-octylphenyl)pyrimidine Traditional Name: 5-(3-fluorononyl)-2-(4-octylphenyl)pyrimidine Formula: C27H41FN2 MolecularWeight: 412.626243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)CCC(CCCCCC)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)CCC(CCCCCC)F

InChI

InChI=1S/C27H41FN2/c1-3-5-7-9-10-11-13-23-15-18-25(19-16-23)27-29-21-24(22-30-27)17-20-26(28)14-12-8-6-4-2/h15-16,18-19,21-22,26H,3-14,17,20H2,1-2H3