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

Systemtic Name: 2-[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-propan-2-yloxy-phenyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-3-isopropoxy-phenyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[2-[(5-bromo-2-methoxyphenyl)methylthio]-3-propan-2-yloxyphenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-propan-2-yloxyphenyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[2-[(5-bromo-2-methoxy-benzyl)thio]-3-isopropoxy-phenyl]-1,4,5,6-tetrahydropyrimidine Formula: C21H25BrN2O2S MolecularWeight: 449.4044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1SCC2=C(C=CC(=C2)Br)OC)C3=NCCCN3

Isomeric SMILES

CC(C)OC1=CC=CC(=C1SCC2=C(C=CC(=C2)Br)OC)C3=NCCCN3

InChI

InChI=1S/C21H25BrN2O2S/c1-14(2)26-19-7-4-6-17(21-23-10-5-11-24-21)20(19)27-13-15-12-16(22)8-9-18(15)25-3/h4,6-9,12,14H,5,10-11,13H2,1-3H3,(H,23,24)