2-[4-(3-fluoranylbutoxy)phenyl]-5-heptyl-pyrimidine

Systemtic Name: 2-[4-(3-fluoranylbutoxy)phenyl]-5-heptyl-pyrimidine Openeye Name: 2-[4-(3-fluorobutoxy)phenyl]-5-heptyl-pyrimidine CAS Name: 2-[4-(3-fluorobutoxy)phenyl]-5-heptylpyrimidine IUPAC Name: 2-[4-(3-fluorobutoxy)phenyl]-5-heptylpyrimidine Traditional Name: 2-[4-(3-fluorobutoxy)phenyl]-5-heptyl-pyrimidine Formula: C21H29FN2O MolecularWeight: 344.466163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C)F

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C)F

InChI

InChI=1S/C21H29FN2O/c1-3-4-5-6-7-8-18-15-23-21(24-16-18)19-9-11-20(12-10-19)25-14-13-17(2)22/h9-12,15-17H,3-8,13-14H2,1-2H3