9-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-3,7-dihydropurin-9-ium-6-one

Systemtic Name: 9-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-3,7-dihydropurin-9-ium-6-one Openeye Name: 9-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-3,7-dihydropurin-9-ium-6-one CAS Name: 9-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-3,7-dihydropurin-9-ium-6-one IUPAC Name: 9-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-3,7-dihydropurin-9-ium-6-one Traditional Name: 9-[(2S,5S)-2-methylol-1,3-oxathiolan-5-yl]-3,7-dihydropurin-9-ium-6-one Formula: C9H11N4O3S+ MolecularWeight: 255.27364

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(S1)CO)[N+]2=CNC3=C2NC=NC3=O

Isomeric SMILES

C1[C@H](O[C@@H](S1)CO)[N+]2=CNC3=C2NC=NC3=O

InChI

InChI=1S/C9H10N4O3S/c14-1-6-16-5(2-17-6)13-4-12-7-8(13)10-3-11-9(7)15/h3-6,14H,1-2H2,(H,10,11,15)/p+1/t5-,6-/m0/s1