2-[2-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-3-fluoranyl-phenyl]-1,4,5,6-tetrahydropyrimidine

Systemtic Name: 2-[2-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-3-fluoranyl-phenyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-3-fluoro-phenyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-3-fluoro-phenyl]-1,4,5,6-tetrahydropyrimidine Formula: C19H20BrFN2O MolecularWeight: 391.277303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CCC2=C(C=CC=C2F)C3=NCCCN3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CCC2=C(C=CC=C2F)C3=NCCCN3

InChI

InChI=1S/C19H20BrFN2O/c1-24-18-9-7-14(20)12-13(18)6-8-15-16(4-2-5-17(15)21)19-22-10-3-11-23-19/h2,4-5,7,9,12H,3,6,8,10-11H2,1H3,(H,22,23)