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

Systemtic Name: 2-[2-[(5-bromanyl-2-methyl-phenyl)methylsulfanyl]-5-methyl-phenyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[2-[(5-bromo-2-methyl-phenyl)methylsulfanyl]-5-methyl-phenyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[2-[(5-bromo-2-methylphenyl)methylthio]-5-methylphenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[2-[(5-bromo-2-methylphenyl)methylsulfanyl]-5-methylphenyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[2-[(5-bromo-2-methyl-benzyl)thio]-5-methyl-phenyl]-1,4,5,6-tetrahydropyrimidine Formula: C19H21BrN2S MolecularWeight: 389.35244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2S/c1-13-4-7-18(17(10-13)19-21-8-3-9-22-19)23-12-15-11-16(20)6-5-14(15)2/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,21,22)