2-methylsulfanyl-7-[1,2,3,4-tetrakis(oxidanyl)butyl]-1H-pteridin-4-one

Systemtic Name: 2-methylsulfanyl-7-[1,2,3,4-tetrakis(oxidanyl)butyl]-1H-pteridin-4-one Openeye Name: 2-methylsulfanyl-7-(1,2,3,4-tetrahydroxybutyl)-1H-pteridin-4-one CAS Name: 2-(methylthio)-7-(1,2,3,4-tetrahydroxybutyl)-1H-pteridin-4-one IUPAC Name: 2-methylsulfanyl-7-(1,2,3,4-tetrahydroxybutyl)-1H-pteridin-4-one Traditional Name: 2-(methylthio)-7-(1,2,3,4-tetrahydroxybutyl)-1H-pteridin-4-one Formula: C11H14N4O5S MolecularWeight: 314.31766

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C2=NC=C(N=C2N1)C(C(C(CO)O)O)O

Isomeric SMILES

CSC1=NC(=O)C2=NC=C(N=C2N1)C(C(C(CO)O)O)O

InChI

InChI=1S/C11H14N4O5S/c1-21-11-14-9-6(10(20)15-11)12-2-4(13-9)7(18)8(19)5(17)3-16/h2,5,7-8,16-19H,3H2,1H3,(H,13,14,15,20)