9-[(2S,3S,4R)-3,4-bis(hydroxymethyl)thietan-2-yl]-3H-purin-6-one

Systemtic Name: 9-[(2S,3S,4R)-3,4-bis(hydroxymethyl)thietan-2-yl]-3H-purin-6-one Openeye Name: 9-[(2S,3S,4R)-3,4-bis(hydroxymethyl)thietan-2-yl]-3H-purin-6-one CAS Name: 9-[(2S,3S,4R)-3,4-bis(hydroxymethyl)-2-thietanyl]-3H-purin-6-one IUPAC Name: 9-[(2S,3S,4R)-3,4-bis(hydroxymethyl)thietan-2-yl]-3H-purin-6-one Traditional Name: 9-[(2S,3S,4R)-3,4-dimethylolthietan-2-yl]-3H-purin-6-one Formula: C10H12N4O3S MolecularWeight: 268.29228

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(S3)CO)CO

Isomeric SMILES

C1=NC(=O)C2=C(N1)N(C=N2)[C@@H]3[C@H]([C@@H](S3)CO)CO

InChI

InChI=1S/C10H12N4O3S/c15-1-5-6(2-16)18-10(5)14-4-13-7-8(14)11-3-12-9(7)17/h3-6,10,15-16H,1-2H2,(H,11,12,17)/t5-,6-,10-/m0/s1