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

Systemtic Name: 3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-N-pyrrolidin-3-yl-pyrazin-2-amine Openeye Name: 3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-N-pyrrolidin-3-yl-pyrazin-2-amine CAS Name: 3-[(5-bromo-2-methoxyphenyl)methylthio]-N-(3-pyrrolidinyl)-2-pyrazinamine IUPAC Name: 3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-N-pyrrolidin-3-ylpyrazin-2-amine Traditional Name: [3-[(5-bromo-2-methoxy-benzyl)thio]pyrazin-2-yl]-pyrrolidin-3-yl-amine Formula: C16H19BrN4OS MolecularWeight: 395.31726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=NC=CN=C2NC3CCNC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=NC=CN=C2NC3CCNC3

InChI

InChI=1S/C16H19BrN4OS/c1-22-14-3-2-12(17)8-11(14)10-23-16-15(19-6-7-20-16)21-13-4-5-18-9-13/h2-3,6-8,13,18H,4-5,9-10H2,1H3,(H,19,21)