N1-[3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]pyrazin-2-yl]-2-methyl-propane-1,2-diamine

Systemtic Name: N1-[3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]pyrazin-2-yl]-2-methyl-propane-1,2-diamine Openeye Name: N1-[3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]pyrazin-2-yl]-2-methyl-propane-1,2-diamine CAS Name: N1-[3-[(5-bromo-2-methoxyphenyl)methylthio]-2-pyrazinyl]-2-methylpropane-1,2-diamine IUPAC Name: 1-N-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyrazin-2-yl]-2-methylpropane-1,2-diamine Traditional Name: (2-amino-2-methyl-propyl)-[3-[(5-bromo-2-methoxy-benzyl)thio]pyrazin-2-yl]amine Formula: C16H21BrN4OS MolecularWeight: 397.33314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=NC=CN=C1SCC2=C(C=CC(=C2)Br)OC)N

Isomeric SMILES

CC(C)(CNC1=NC=CN=C1SCC2=C(C=CC(=C2)Br)OC)N

InChI

InChI=1S/C16H21BrN4OS/c1-16(2,18)10-21-14-15(20-7-6-19-14)23-9-11-8-12(17)4-5-13(11)22-3/h4-8H,9-10,18H2,1-3H3,(H,19,21)