7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-4-(methylamino)pyrrolo[2,3-d]pyrimidine-5-carbothioamide

Systemtic Name: 7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-4-(methylamino)pyrrolo[2,3-d]pyrimidine-5-carbothioamide Openeye Name: 7-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-(methylamino)pyrrolo[2,3-d]pyrimidine-5-carbothioamide CAS Name: 7-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-(methylamino)-5-pyrrolo[2,3-d]pyrimidinecarbothioamide IUPAC Name: 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(methylamino)pyrrolo[2,3-d]pyrimidine-5-carbothioamide Traditional Name: 7-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-4-(methylamino)pyrrolo[2,3-d]pyrimidine-5-carbothioamide Formula: C13H17N5O4S MolecularWeight: 339.37018

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=NC2=C1C(=CN2C3C(C(C(O3)CO)O)O)C(=S)N

Isomeric SMILES

CNC1=NC=NC2=C1C(=CN2C3C(C(C(O3)CO)O)O)C(=S)N

InChI

InChI=1S/C13H17N5O4S/c1-15-11-7-5(10(14)23)2-18(12(7)17-4-16-11)13-9(21)8(20)6(3-19)22-13/h2,4,6,8-9,13,19-21H,3H2,1H3,(H2,14,23)(H,15,16,17)