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

Systemtic Name: 1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-methylsulfanyl-4-sulfanylidene-2H-pyrazolo[3,4-d]pyrimidine-3-carbothioamide Openeye Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-methylsulfanyl-4-thioxo-2H-pyrazolo[3,4-d]pyrimidine-3-carbothioamide CAS Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-(methylthio)-4-sulfanylidene-2H-pyrazolo[3,4-d]pyrimidine-3-carbothioamide IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylsulfanyl-4-sulfanylidene-2H-pyrazolo[3,4-d]pyrimidine-3-carbothioamide Traditional Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-6-(methylthio)-4-thioxo-2H-pyrazolo[3,4-d]pyrimidine-3-carbothioamide Formula: C12H15N5O4S3 MolecularWeight: 389.4736

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=S)C2=C(NN(C2=N1)C3C(C(C(O3)CO)O)O)C(=S)N

Isomeric SMILES

CSC1=NC(=S)C2=C(NN(C2=N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C(=S)N

InChI

InChI=1S/C12H15N5O4S3/c1-24-12-14-9-4(10(23)15-12)5(8(13)22)16-17(9)11-7(20)6(19)3(2-18)21-11/h3,6-7,11,16,18-20H,2H2,1H3,(H2,13,22)/t3-,6-,7-,11-/m1/s1