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

Systemtic Name: 2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-(4-piperidin-1-ylpiperidin-1-yl)pyrazine Openeye Name: 2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-3-[4-(1-piperidyl)-1-piperidyl]pyrazine CAS Name: 2-[(5-bromo-2-methoxyphenyl)methylthio]-3-[4-(1-piperidinyl)-1-piperidinyl]pyrazine IUPAC Name: 2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-(4-piperidin-1-ylpiperidin-1-yl)pyrazine Traditional Name: 2-[(5-bromo-2-methoxy-benzyl)thio]-3-(4-piperidinopiperidino)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=C2N3CCC(CC3)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=NC=CN=C2N3CCC(CC3)N4CCCCC4

InChI

InChI=1S/C22H29BrN4OS/c1-28-20-6-5-18(23)15-17(20)16-29-22-21(24-9-10-25-22)27-13-7-19(8-14-27)26-11-3-2-4-12-26/h5-6,9-10,15,19H,2-4,7-8,11-14,16H2,1H3