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

Systemtic Name: 2-[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-5-methyl-phenyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-5-methyl-phenyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[2-[(5-bromo-2-methoxyphenyl)methylthio]-5-methylphenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-5-methylphenyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[2-[(5-bromo-2-methoxy-benzyl)thio]-5-methyl-phenyl]-1,4,5,6-tetrahydropyrimidine Formula: C19H21BrN2OS MolecularWeight: 405.35184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2=C(C=CC(=C2)Br)OC)C3=NCCCN3

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2=C(C=CC(=C2)Br)OC)C3=NCCCN3

InChI

InChI=1S/C19H21BrN2OS/c1-13-4-7-18(16(10-13)19-21-8-3-9-22-19)24-12-14-11-15(20)5-6-17(14)23-2/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,21,22)