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

Systemtic Name: 2-[2-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-3-ethyl-phenyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-3-ethyl-phenyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-ethylphenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-ethylphenyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-3-ethyl-phenyl]-1,4,5,6-tetrahydropyrimidine Formula: C21H25BrN2O MolecularWeight: 401.34

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1CCC2=C(C=CC(=C2)Br)OC)C3=NCCCN3

Isomeric SMILES

CCC1=CC=CC(=C1CCC2=C(C=CC(=C2)Br)OC)C3=NCCCN3

InChI

InChI=1S/C21H25BrN2O/c1-3-15-6-4-7-19(21-23-12-5-13-24-21)18(15)10-8-16-14-17(22)9-11-20(16)25-2/h4,6-7,9,11,14H,3,5,8,10,12-13H2,1-2H3,(H,23,24)