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

Systemtic Name: 2-[2-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-3-propan-2-yloxy-phenyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-3-isopropoxy-phenyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-propan-2-yloxyphenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-propan-2-yloxyphenyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-3-isopropoxy-phenyl]-1,4,5,6-tetrahydropyrimidine Formula: C22H27BrN2O2 MolecularWeight: 431.36598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1CCC2=C(C=CC(=C2)Br)OC)C3=NCCCN3

Isomeric SMILES

CC(C)OC1=CC=CC(=C1CCC2=C(C=CC(=C2)Br)OC)C3=NCCCN3

InChI

InChI=1S/C22H27BrN2O2/c1-15(2)27-21-7-4-6-19(22-24-12-5-13-25-22)18(21)10-8-16-14-17(23)9-11-20(16)26-3/h4,6-7,9,11,14-15H,5,8,10,12-13H2,1-3H3,(H,24,25)