3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-N-(2-piperidin-1-ylethyl)pyrazin-2-amine

Systemtic Name: 3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-N-(2-piperidin-1-ylethyl)pyrazin-2-amine Openeye Name: 3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-N-[2-(1-piperidyl)ethyl]pyrazin-2-amine CAS Name: 3-[(5-bromo-2-methoxyphenyl)methylthio]-N-[2-(1-piperidinyl)ethyl]-2-pyrazinamine IUPAC Name: 3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-N-(2-piperidin-1-ylethyl)pyrazin-2-amine Traditional Name: [3-[(5-bromo-2-methoxy-benzyl)thio]pyrazin-2-yl]-(2-piperidinoethyl)amine Formula: C19H25BrN4OS MolecularWeight: 437.397

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=NC=CN=C2NCCN3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=NC=CN=C2NCCN3CCCCC3

InChI

InChI=1S/C19H25BrN4OS/c1-25-17-6-5-16(20)13-15(17)14-26-19-18(21-7-8-23-19)22-9-12-24-10-3-2-4-11-24/h5-8,13H,2-4,9-12,14H2,1H3,(H,21,22)