2-(2-fluoranyl-3-propoxy-phenyl)-5-(4-octoxyphenyl)pyrimidine

Systemtic Name: 2-(2-fluoranyl-3-propoxy-phenyl)-5-(4-octoxyphenyl)pyrimidine Openeye Name: 2-(2-fluoro-3-propoxy-phenyl)-5-(4-octoxyphenyl)pyrimidine CAS Name: 2-(2-fluoro-3-propoxyphenyl)-5-(4-octoxyphenyl)pyrimidine IUPAC Name: 2-(2-fluoro-3-propoxyphenyl)-5-(4-octoxyphenyl)pyrimidine Traditional Name: 2-(2-fluoro-3-propoxy-phenyl)-5-(4-octoxyphenyl)pyrimidine Formula: C27H33FN2O2 MolecularWeight: 436.561523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=C(C(=CC=C3)OCCC)F

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=C(C(=CC=C3)OCCC)F

InChI

InChI=1S/C27H33FN2O2/c1-3-5-6-7-8-9-18-31-23-15-13-21(14-16-23)22-19-29-27(30-20-22)24-11-10-12-25(26(24)28)32-17-4-2/h10-16,19-20H,3-9,17-18H2,1-2H3