5-(1-azabicyclo[3.2.1]octan-2-yl)-6-(3-methylbutylsulfanyl)-1H-pyrazin-2-one

Systemtic Name: 5-(1-azabicyclo[3.2.1]octan-2-yl)-6-(3-methylbutylsulfanyl)-1H-pyrazin-2-one Openeye Name: 5-(1-azabicyclo[3.2.1]octan-2-yl)-6-isopentylsulfanyl-1H-pyrazin-2-one CAS Name: 5-(1-azabicyclo[3.2.1]octan-2-yl)-6-(3-methylbutylthio)-1H-pyrazin-2-one IUPAC Name: 5-(1-azabicyclo[3.2.1]octan-2-yl)-6-(3-methylbutylsulfanyl)-1H-pyrazin-2-one Traditional Name: 5-(1-azabicyclo[3.2.1]octan-2-yl)-6-(isoamylthio)-1H-pyrazin-2-one Formula: C16H25N3OS MolecularWeight: 307.4542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(N=CC(=O)N1)C2CCC3CCN2C3

Isomeric SMILES

CC(C)CCSC1=C(N=CC(=O)N1)C2CCC3CCN2C3

InChI

InChI=1S/C16H25N3OS/c1-11(2)6-8-21-16-15(17-9-14(20)18-16)13-4-3-12-5-7-19(13)10-12/h9,11-13H,3-8,10H2,1-2H3,(H,18,20)