1-[(2S,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-(phenylmethylsulfanyl)pyrazin-2-one

Systemtic Name: 1-[(2S,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-(phenylmethylsulfanyl)pyrazin-2-one Openeye Name: 5-benzylsulfanyl-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrazin-2-one CAS Name: 1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-(phenylmethylthio)-2-pyrazinone IUPAC Name: 5-benzylsulfanyl-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazin-2-one Traditional Name: 5-(benzylthio)-1-[(2S,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrazin-2-one Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=C(N=CC2=O)SCC3=CC=CC=C3)CO)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@@H]1N2C=C(N=CC2=O)SCC3=CC=CC=C3)CO)O

InChI

InChI=1S/C16H18N2O4S/c19-9-13-12(20)6-16(22-13)18-8-14(17-7-15(18)21)23-10-11-4-2-1-3-5-11/h1-5,7-8,12-13,16,19-20H,6,9-10H2/t12-,13+,16-/m0/s1