[5-(6-methylsulfanyl-6-oxidanyl-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

Systemtic Name: [5-(6-methylsulfanyl-6-oxidanyl-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate Openeye Name: [3,4-dihydroxy-5-(6-hydroxy-6-methylsulfanyl-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: [3,4-dihydroxy-5-[6-hydroxy-6-(methylthio)-3H-purin-9-yl]-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: [3,4-dihydroxy-5-(6-hydroxy-6-methylsulfanyl-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate Traditional Name: [3,4-dihydroxy-5-[6-hydroxy-6-(methylthio)-3H-purin-9-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate Formula: C11H17N4O8PS MolecularWeight: 396.313441

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Descriptors Computed from Structure

Canonical SMILES:

CSC1(C2=C(NC=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)O

Isomeric SMILES

CSC1(C2=C(NC=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)O

InChI

InChI=1S/C11H17N4O8PS/c1-25-11(18)8-9(12-3-14-11)15(4-13-8)10-7(17)6(16)5(23-10)2-22-24(19,20)21/h3-7,10,16-18H,2H2,1H3,(H,12,14)(H2,19,20,21)