(2R,3R,4S,5R)-2-[(3Z)-3-[azanyl(nitroso)methylidene]-4,6-bis(methylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: (2R,3R,4S,5R)-2-[(3Z)-3-[azanyl(nitroso)methylidene]-4,6-bis(methylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: (2R,3R,4S,5R)-2-[(3Z)-3-[amino(nitroso)methylene]-4,6-bis(methylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: (2R,3R,4S,5R)-2-[(3Z)-3-[amino(nitroso)methylidene]-4,6-bis(methylthio)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: (2R,3R,4S,5R)-2-[(3Z)-3-[amino(nitroso)methylidene]-4,6-bis(methylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: (2R,3R,4S,5R)-2-[(3Z)-3-[amino(nitroso)methylene]-4,6-bis(methylthio)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C13H18N6O5S2 MolecularWeight: 402.44922

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC2=C1C(=C(N)N=O)NN2C3C(C(C(O3)CO)O)O)SC

Isomeric SMILES

CSC1=NC(=NC2=C1/C(=C(\N)/N=O)/NN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)SC

InChI

InChI=1S/C13H18N6O5S2/c1-25-11-5-6(9(14)18-23)17-19(10(5)15-13(16-11)26-2)12-8(22)7(21)4(3-20)24-12/h4,7-8,12,17,20-22H,3,14H2,1-2H3/b9-6-/t4-,7-,8-,12-/m1/s1