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

Systemtic Name: 1-[3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]pyrazin-2-yl]pyrrolidin-3-amine Openeye Name: 1-[3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]pyrazin-2-yl]pyrrolidin-3-amine CAS Name: 1-[3-[(5-bromo-2-methoxyphenyl)methylthio]-2-pyrazinyl]-3-pyrrolidinamine IUPAC Name: 1-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyrazin-2-yl]pyrrolidin-3-amine Traditional Name: [1-[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=C2N3CCC(C3)N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=NC=CN=C2N3CCC(C3)N

InChI

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