N1-[3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]pyrazin-2-yl]-N3,N3,3-trimethyl-butane-1,3-diamine

Systemtic Name: N1-[3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]pyrazin-2-yl]-N3,N3,3-trimethyl-butane-1,3-diamine Openeye Name: N1-[3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]pyrazin-2-yl]-N3,N3,3-trimethyl-butane-1,3-diamine CAS Name: N1-[3-[(5-bromo-2-methoxyphenyl)methylthio]-2-pyrazinyl]-N3,N3,3-trimethylbutane-1,3-diamine IUPAC Name: 1-N-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyrazin-2-yl]-3-N,3-N,3-trimethylbutane-1,3-diamine Traditional Name: [3-[[3-[(5-bromo-2-methoxy-benzyl)thio]pyrazin-2-yl]amino]-1,1-dimethyl-propyl]-dimethyl-amine Formula: C19H27BrN4OS MolecularWeight: 439.41288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCNC1=NC=CN=C1SCC2=C(C=CC(=C2)Br)OC)N(C)C

Isomeric SMILES

CC(C)(CCNC1=NC=CN=C1SCC2=C(C=CC(=C2)Br)OC)N(C)C

InChI

InChI=1S/C19H27BrN4OS/c1-19(2,24(3)4)8-9-21-17-18(23-11-10-22-17)26-13-14-12-15(20)6-7-16(14)25-5/h6-7,10-12H,8-9,13H2,1-5H3,(H,21,22)