5-(2-butoxy-3-fluoranyl-phenyl)-2-heptyl-pyrimidine

Systemtic Name: 5-(2-butoxy-3-fluoranyl-phenyl)-2-heptyl-pyrimidine Openeye Name: 5-(2-butoxy-3-fluoro-phenyl)-2-heptyl-pyrimidine CAS Name: 5-(2-butoxy-3-fluorophenyl)-2-heptylpyrimidine IUPAC Name: 5-(2-butoxy-3-fluorophenyl)-2-heptylpyrimidine Traditional Name: 5-(2-butoxy-3-fluoro-phenyl)-2-heptyl-pyrimidine Formula: C21H29FN2O MolecularWeight: 344.466163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NC=C(C=N1)C2=C(C(=CC=C2)F)OCCCC

Isomeric SMILES

CCCCCCCC1=NC=C(C=N1)C2=C(C(=CC=C2)F)OCCCC

InChI

InChI=1S/C21H29FN2O/c1-3-5-7-8-9-13-20-23-15-17(16-24-20)18-11-10-12-19(22)21(18)25-14-6-4-2/h10-12,15-16H,3-9,13-14H2,1-2H3