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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSCC2=CC=CC=C2C3=NCCCN3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSCC2=CC=CC=C2C3=NCCCN3

InChI

InChI=1S/C19H21BrN2OS/c1-23-18-8-7-16(20)11-15(18)13-24-12-14-5-2-3-6-17(14)19-21-9-4-10-22-19/h2-3,5-8,11H,4,9-10,12-13H2,1H3,(H,21,22)