2-(4-azanyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(methylsulfanylmethyl)pyrrolidin-1-ium-3,4-diol

Systemtic Name: 2-(4-azanyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(methylsulfanylmethyl)pyrrolidin-1-ium-3,4-diol Openeye Name: 2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(methylsulfanylmethyl)pyrrolidin-1-ium-3,4-diol CAS Name: 2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-[(methylthio)methyl]pyrrolidin-1-ium-3,4-diol IUPAC Name: 2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(methylsulfanylmethyl)pyrrolidin-1-ium-3,4-diol Traditional Name: 2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-[(methylthio)methyl]pyrrolidin-1-ium-3,4-diol Formula: C12H18N5O2S+ MolecularWeight: 296.36862

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1C(C(C([NH2+]1)C2=CNC3=C2N=CN=C3N)O)O

Isomeric SMILES

CSCC1C(C(C([NH2+]1)C2=CNC3=C2N=CN=C3N)O)O

InChI

InChI=1S/C12H17N5O2S/c1-20-3-6-10(18)11(19)8(17-6)5-2-14-9-7(5)15-4-16-12(9)13/h2,4,6,8,10-11,14,17-19H,3H2,1H3,(H2,13,15,16)/p+1