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

Systemtic Name: 2-[2-[(5-bromanyl-2-methyl-phenyl)methylsulfanyl]-4-ethoxy-phenyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[2-[(5-bromo-2-methyl-phenyl)methylsulfanyl]-4-ethoxy-phenyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[2-[(5-bromo-2-methylphenyl)methylthio]-4-ethoxyphenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[2-[(5-bromo-2-methylphenyl)methylsulfanyl]-4-ethoxyphenyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[2-[(5-bromo-2-methyl-benzyl)thio]-4-ethoxy-phenyl]-1,4,5,6-tetrahydropyrimidine Formula: C20H23BrN2OS MolecularWeight: 419.37842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C2=NCCCN2)SCC3=C(C=CC(=C3)Br)C

Isomeric SMILES

CCOC1=CC(=C(C=C1)C2=NCCCN2)SCC3=C(C=CC(=C3)Br)C

InChI

InChI=1S/C20H23BrN2OS/c1-3-24-17-7-8-18(20-22-9-4-10-23-20)19(12-17)25-13-15-11-16(21)6-5-14(15)2/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,22,23)