3-azanyl-5-[2-oxidanyl-5-(thiolan-2-yl)phenyl]-1-piperidin-3-yl-pyrazin-2-one

Systemtic Name: 3-azanyl-5-[2-oxidanyl-5-(thiolan-2-yl)phenyl]-1-piperidin-3-yl-pyrazin-2-one Openeye Name: 3-amino-5-(2-hydroxy-5-tetrahydrothiophen-2-yl-phenyl)-1-(3-piperidyl)pyrazin-2-one CAS Name: 3-amino-5-[2-hydroxy-5-(2-thiolanyl)phenyl]-1-(3-piperidinyl)-2-pyrazinone IUPAC Name: 3-amino-5-[2-hydroxy-5-(thiolan-2-yl)phenyl]-1-piperidin-3-ylpyrazin-2-one Traditional Name: 3-amino-5-(2-hydroxy-5-tetrahydrothiophen-2-yl-phenyl)-1-(3-piperidyl)pyrazin-2-one Formula: C19H24N4O2S MolecularWeight: 372.48446

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)N2C=C(N=C(C2=O)N)C3=C(C=CC(=C3)C4CCCS4)O

Isomeric SMILES

C1CC(CNC1)N2C=C(N=C(C2=O)N)C3=C(C=CC(=C3)C4CCCS4)O

InChI

InChI=1S/C19H24N4O2S/c20-18-19(25)23(13-3-1-7-21-10-13)11-15(22-18)14-9-12(5-6-16(14)24)17-4-2-8-26-17/h5-6,9,11,13,17,21,24H,1-4,7-8,10H2,(H2,20,22)