(6S,7R)-2-ethylsulfanyl-6,7-bis(oxidanyl)-1,5,5a,6,7,8,9a,10-octahydropyrano[3,2-g]pteridin-4-one

Systemtic Name: (6S,7R)-2-ethylsulfanyl-6,7-bis(oxidanyl)-1,5,5a,6,7,8,9a,10-octahydropyrano[3,2-g]pteridin-4-one Openeye Name: (6S,7R)-2-ethylsulfanyl-6,7-dihydroxy-1,5,5a,6,7,8,9a,10-octahydropyrano[3,2-g]pteridin-4-one CAS Name: (6S,7R)-2-(ethylthio)-6,7-dihydroxy-1,5,5a,6,7,8,9a,10-octahydropyrano[3,2-g]pteridin-4-one IUPAC Name: (6S,7R)-2-ethylsulfanyl-6,7-dihydroxy-1,5,5a,6,7,8,9a,10-octahydropyrano[3,2-g]pteridin-4-one Traditional Name: (6S,7R)-2-(ethylthio)-6,7-dihydroxy-1,5,5a,6,7,8,9a,10-octahydropyrano[3,2-g]pteridin-4-one Formula: C11H16N4O4S MolecularWeight: 300.33414

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=O)C2=C(N1)NC3C(N2)C(C(CO3)O)O

Isomeric SMILES

CCSC1=NC(=O)C2=C(N1)NC3C(N2)[C@@H]([C@@H](CO3)O)O

InChI

InChI=1S/C11H16N4O4S/c1-2-20-11-14-8-6(9(18)15-11)12-5-7(17)4(16)3-19-10(5)13-8/h4-5,7,10,12,16-17H,2-3H2,1H3,(H2,13,14,15,18)/t4-,5?,7-,10?/m1/s1