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

Systemtic Name: 2-[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-ethyl-phenyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-3-ethyl-phenyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[2-[(5-bromo-2-methoxyphenyl)methylthio]-3-ethylphenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-ethylphenyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[2-[(5-bromo-2-methoxy-benzyl)thio]-3-ethyl-phenyl]-1,4,5,6-tetrahydropyrimidine Formula: C20H23BrN2OS MolecularWeight: 419.37842

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1SCC2=C(C=CC(=C2)Br)OC)C3=NCCCN3

Isomeric SMILES

CCC1=CC=CC(=C1SCC2=C(C=CC(=C2)Br)OC)C3=NCCCN3

InChI

InChI=1S/C20H23BrN2OS/c1-3-14-6-4-7-17(20-22-10-5-11-23-20)19(14)25-13-15-12-16(21)8-9-18(15)24-2/h4,6-9,12H,3,5,10-11,13H2,1-2H3,(H,22,23)