4-azanyl-1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidine-3-carbothioamide

Systemtic Name: 4-azanyl-1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidine-3-carbothioamide Openeye Name: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidine-3-carbothioamide CAS Name: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-(methylthio)-3-pyrazolo[3,4-d]pyrimidinecarbothioamide IUPAC Name: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylsulfanylpyrazolo[3,4-d]pyrimidine-3-carbothioamide Traditional Name: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-6-(methylthio)pyrazolo[3,4-d]pyrimidine-3-carbothioamide Formula: C12H16N6O4S2 MolecularWeight: 372.42324

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=NN2C3C(C(C(O3)CO)O)O)C(=S)N)C(=N1)N

Isomeric SMILES

CSC1=NC2=C(C(=NN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C(=S)N)C(=N1)N

InChI

InChI=1S/C12H16N6O4S2/c1-24-12-15-8(13)4-5(9(14)23)17-18(10(4)16-12)11-7(21)6(20)3(2-19)22-11/h3,6-7,11,19-21H,2H2,1H3,(H2,14,23)(H2,13,15,16)/t3-,6-,7-,11-/m1/s1