2-azanyl-7-[1,2-bis(oxidanyl)ethyl]-6-methylsulfanyl-1H-thieno[3,2-g]pteridin-4-one

Systemtic Name: 2-azanyl-7-[1,2-bis(oxidanyl)ethyl]-6-methylsulfanyl-1H-thieno[3,2-g]pteridin-4-one Openeye Name: 2-amino-7-(1,2-dihydroxyethyl)-6-methylsulfanyl-1H-thieno[3,2-g]pteridin-4-one CAS Name: 2-amino-7-(1,2-dihydroxyethyl)-6-(methylthio)-1H-thieno[3,2-g]pteridin-4-one IUPAC Name: 2-amino-7-(1,2-dihydroxyethyl)-6-methylsulfanyl-1H-thieno[3,2-g]pteridin-4-one Traditional Name: 2-amino-7-(1,2-dihydroxyethyl)-6-(methylthio)-1H-thieno[3,2-g]pteridin-4-one Formula: C11H11N5O3S2 MolecularWeight: 325.36674

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(SC2=C1N=C3C(=N2)NC(=NC3=O)N)C(CO)O

Isomeric SMILES

CSC1=C(SC2=C1N=C3C(=N2)NC(=NC3=O)N)C(CO)O

InChI

InChI=1S/C11H11N5O3S2/c1-20-7-4-10(21-6(7)3(18)2-17)14-8-5(13-4)9(19)16-11(12)15-8/h3,17-18H,2H2,1H3,(H3,12,14,15,16,19)