3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazin-2-amine

Systemtic Name: 3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazin-2-amine Openeye Name: 3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-N-[3-(2-methyl-1-piperidyl)propyl]pyrazin-2-amine CAS Name: 3-[(5-bromo-2-methoxyphenyl)methylthio]-N-[3-(2-methyl-1-piperidinyl)propyl]-2-pyrazinamine IUPAC Name: 3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazin-2-amine Traditional Name: [3-[(5-bromo-2-methoxy-benzyl)thio]pyrazin-2-yl]-[3-(2-methylpiperidino)propyl]amine Formula: C21H29BrN4OS MolecularWeight: 465.45016

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCCNC2=NC=CN=C2SCC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC1CCCCN1CCCNC2=NC=CN=C2SCC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C21H29BrN4OS/c1-16-6-3-4-12-26(16)13-5-9-23-20-21(25-11-10-24-20)28-15-17-14-18(22)7-8-19(17)27-2/h7-8,10-11,14,16H,3-6,9,12-13,15H2,1-2H3,(H,23,24)