2-azanyl-9-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-3H-purin-6-one CAS Name: 2-amino-9-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[(2S,5S)-2-methylol-1,3-oxathiolan-5-yl]-3H-purin-6-one Formula: C9H11N5O3S MolecularWeight: 269.28034

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(S1)CO)N2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C1[C@H](O[C@@H](S1)CO)N2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C9H11N5O3S/c10-9-12-7-6(8(16)13-9)11-3-14(7)4-2-18-5(1-15)17-4/h3-5,15H,1-2H2,(H3,10,12,13,16)/t4-,5-/m0/s1