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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)CSC2=CC=CC=C2C3=NCCCN3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)CSC2=CC=CC=C2C3=NCCCN3

InChI

InChI=1S/C19H21BrN2OS/c1-2-23-17-9-8-15(20)12-14(17)13-24-18-7-4-3-6-16(18)19-21-10-5-11-22-19/h3-4,6-9,12H,2,5,10-11,13H2,1H3,(H,21,22)