2-[2-[4-[3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]pyrazin-2-yl]piperazin-1-yl]ethoxy]ethanol

Systemtic Name: 2-[2-[4-[3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]pyrazin-2-yl]piperazin-1-yl]ethoxy]ethanol Openeye Name: 2-[2-[4-[3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]pyrazin-2-yl]piperazin-1-yl]ethoxy]ethanol CAS Name: 2-[2-[4-[3-[(5-bromo-2-methoxyphenyl)methylthio]-2-pyrazinyl]-1-piperazinyl]ethoxy]ethanol IUPAC Name: 2-[2-[4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyrazin-2-yl]piperazin-1-yl]ethoxy]ethanol Traditional Name: 2-[2-[4-[3-[(5-bromo-2-methoxy-benzyl)thio]pyrazin-2-yl]piperazino]ethoxy]ethanol Formula: C20H27BrN4O3S MolecularWeight: 483.42238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=NC=CN=C2N3CCN(CC3)CCOCCO

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=NC=CN=C2N3CCN(CC3)CCOCCO

InChI

InChI=1S/C20H27BrN4O3S/c1-27-18-3-2-17(21)14-16(18)15-29-20-19(22-4-5-23-20)25-8-6-24(7-9-25)10-12-28-13-11-26/h2-5,14,26H,6-13,15H2,1H3