3-(1,4-diazepan-1-yl)-1-[2-(2-methylsulfanylphenoxy)ethyl]pyrazin-2-one

Systemtic Name: 3-(1,4-diazepan-1-yl)-1-[2-(2-methylsulfanylphenoxy)ethyl]pyrazin-2-one Openeye Name: 3-(1,4-diazepan-1-yl)-1-[2-(2-methylsulfanylphenoxy)ethyl]pyrazin-2-one CAS Name: 3-(1,4-diazepan-1-yl)-1-[2-[2-(methylthio)phenoxy]ethyl]-2-pyrazinone IUPAC Name: 3-(1,4-diazepan-1-yl)-1-[2-(2-methylsulfanylphenoxy)ethyl]pyrazin-2-one Traditional Name: 3-(1,4-diazepan-1-yl)-1-[2-[2-(methylthio)phenoxy]ethyl]pyrazin-2-one Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1OCCN2C=CN=C(C2=O)N3CCCNCC3

Isomeric SMILES

CSC1=CC=CC=C1OCCN2C=CN=C(C2=O)N3CCCNCC3

InChI

InChI=1S/C18H24N4O2S/c1-25-16-6-3-2-5-15(16)24-14-13-22-12-9-20-17(18(22)23)21-10-4-7-19-8-11-21/h2-3,5-6,9,12,19H,4,7-8,10-11,13-14H2,1H3