2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-(4-cyclohexylpiperazin-1-yl)pyrazine

Systemtic Name: 2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-(4-cyclohexylpiperazin-1-yl)pyrazine Openeye Name: 2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-3-(4-cyclohexylpiperazin-1-yl)pyrazine CAS Name: 2-[(5-bromo-2-methoxyphenyl)methylthio]-3-(4-cyclohexyl-1-piperazinyl)pyrazine IUPAC Name: 2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-(4-cyclohexylpiperazin-1-yl)pyrazine Traditional Name: 2-[(5-bromo-2-methoxy-benzyl)thio]-3-(4-cyclohexylpiperazino)pyrazine Formula: C22H29BrN4OS MolecularWeight: 477.46086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=NC=CN=C2N3CCN(CC3)C4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=NC=CN=C2N3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C22H29BrN4OS/c1-28-20-8-7-18(23)15-17(20)16-29-22-21(24-9-10-25-22)27-13-11-26(12-14-27)19-5-3-2-4-6-19/h7-10,15,19H,2-6,11-14,16H2,1H3