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

Systemtic Name: 1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-4,6-bis(methylsulfanyl)pyrazolo[3,4-d]pyrimidine-3-carbothioamide Openeye Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4,6-bis(methylsulfanyl)pyrazolo[3,4-d]pyrimidine-3-carbothioamide CAS Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4,6-bis(methylthio)-3-pyrazolo[3,4-d]pyrimidinecarbothioamide IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,6-bis(methylsulfanyl)pyrazolo[3,4-d]pyrimidine-3-carbothioamide Traditional Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-4,6-bis(methylthio)pyrazolo[3,4-d]pyrimidine-3-carbothioamide Formula: C13H17N5O4S3 MolecularWeight: 403.50018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CSC1=NC(=NC2=C1C(=NN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C(=S)N)SC

InChI

InChI=1S/C13H17N5O4S3/c1-24-11-5-6(9(14)23)17-18(10(5)15-13(16-11)25-2)12-8(21)7(20)4(3-19)22-12/h4,7-8,12,19-21H,3H2,1-2H3,(H2,14,23)/t4-,7-,8-,12-/m1/s1