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

Systemtic Name: 2-[2-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-3-phenyl-phenyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-3-phenyl-phenyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-phenylphenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-phenylphenyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-3-phenyl-phenyl]-1,4,5,6-tetrahydropyrimidine Formula: C25H25BrN2O MolecularWeight: 449.3828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CCC2=C(C=CC=C2C3=NCCCN3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CCC2=C(C=CC=C2C3=NCCCN3)C4=CC=CC=C4

InChI

InChI=1S/C25H25BrN2O/c1-29-24-14-12-20(26)17-19(24)11-13-22-21(18-7-3-2-4-8-18)9-5-10-23(22)25-27-15-6-16-28-25/h2-5,7-10,12,14,17H,6,11,13,15-16H2,1H3,(H,27,28)