2-(3-fluoranyl-4-pentoxy-phenyl)-5-heptyl-pyrimidine

Systemtic Name: 2-(3-fluoranyl-4-pentoxy-phenyl)-5-heptyl-pyrimidine Openeye Name: 2-(3-fluoro-4-pentoxy-phenyl)-5-heptyl-pyrimidine CAS Name: 2-(3-fluoro-4-pentoxyphenyl)-5-heptylpyrimidine IUPAC Name: 2-(3-fluoro-4-pentoxyphenyl)-5-heptylpyrimidine Traditional Name: 2-(4-amoxy-3-fluoro-phenyl)-5-heptyl-pyrimidine Formula: C22H31FN2O MolecularWeight: 358.492743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31FN2O/c1-3-5-7-8-9-11-18-16-24-22(25-17-18)19-12-13-21(20(23)15-19)26-14-10-6-4-2/h12-13,15-17H,3-11,14H2,1-2H3