2-ethylsulfanyl-6-[(1S,2R)-1,2,3-tris(oxidanyl)propyl]-1H-pteridin-4-one

Systemtic Name: 2-ethylsulfanyl-6-[(1S,2R)-1,2,3-tris(oxidanyl)propyl]-1H-pteridin-4-one Openeye Name: 2-ethylsulfanyl-6-[(1S,2R)-1,2,3-trihydroxypropyl]-1H-pteridin-4-one CAS Name: 2-(ethylthio)-6-[(1S,2R)-1,2,3-trihydroxypropyl]-1H-pteridin-4-one IUPAC Name: 2-ethylsulfanyl-6-[(1S,2R)-1,2,3-trihydroxypropyl]-1H-pteridin-4-one Traditional Name: 2-(ethylthio)-6-[(1S,2R)-1,2,3-trihydroxypropyl]-1H-pteridin-4-one Formula: C11H14N4O4S MolecularWeight: 298.31826

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=O)C2=NC(=CN=C2N1)C(C(CO)O)O

Isomeric SMILES

CCSC1=NC(=O)C2=NC(=CN=C2N1)[C@@H]([C@@H](CO)O)O

InChI

InChI=1S/C11H14N4O4S/c1-2-20-11-14-9-7(10(19)15-11)13-5(3-12-9)8(18)6(17)4-16/h3,6,8,16-18H,2,4H2,1H3,(H,12,14,15,19)/t6-,8+/m1/s1