5-butoxy-2-[4-(5-fluoranylheptyl)phenyl]pyrimidine

Systemtic Name: 5-butoxy-2-[4-(5-fluoranylheptyl)phenyl]pyrimidine Openeye Name: 5-butoxy-2-[4-(5-fluoroheptyl)phenyl]pyrimidine CAS Name: 5-butoxy-2-[4-(5-fluoroheptyl)phenyl]pyrimidine IUPAC Name: 5-butoxy-2-[4-(5-fluoroheptyl)phenyl]pyrimidine Traditional Name: 5-butoxy-2-[4-(5-fluoroheptyl)phenyl]pyrimidine Formula: C21H29FN2O MolecularWeight: 344.466163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)CCCCC(CC)F

Isomeric SMILES

CCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)CCCCC(CC)F

InChI

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