2-[4-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]methyl]piperazin-1-yl]pyrimidine

Systemtic Name: 2-[4-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]methyl]piperazin-1-yl]pyrimidine Openeye Name: 2-[4-[[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]phenyl]methyl]piperazin-1-yl]pyrimidine CAS Name: 2-[4-[[2-[(5-bromo-2-methoxyphenyl)methylthio]phenyl]methyl]-1-piperazinyl]pyrimidine IUPAC Name: 2-[4-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]methyl]piperazin-1-yl]pyrimidine Traditional Name: 2-[4-[2-[(5-bromo-2-methoxy-benzyl)thio]benzyl]piperazino]pyrimidine Formula: C23H25BrN4OS MolecularWeight: 485.4398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=CC=CC=C2CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=CC=CC=C2CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C23H25BrN4OS/c1-29-21-8-7-20(24)15-19(21)17-30-22-6-3-2-5-18(22)16-27-11-13-28(14-12-27)23-25-9-4-10-26-23/h2-10,15H,11-14,16-17H2,1H3