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

Systemtic Name: 2-[2-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-4-butyl-phenyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-4-butyl-phenyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-4-butylphenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-4-butylphenyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-4-butyl-phenyl]-1,4,5,6-tetrahydropyrimidine Formula: C23H29BrN2O MolecularWeight: 429.39316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)C2=NCCCN2)CCC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CCCCC1=CC(=C(C=C1)C2=NCCCN2)CCC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C23H29BrN2O/c1-3-4-6-17-7-11-21(23-25-13-5-14-26-23)18(15-17)8-9-19-16-20(24)10-12-22(19)27-2/h7,10-12,15-16H,3-6,8-9,13-14H2,1-2H3,(H,25,26)