9-[(2R,3R,4S)-3,4-bis(hydroxymethyl)oxetan-2-yl]-3H-purine-2,6-dione

Systemtic Name: 9-[(2R,3R,4S)-3,4-bis(hydroxymethyl)oxetan-2-yl]-3H-purine-2,6-dione Openeye Name: 9-[(2R,3R,4S)-3,4-bis(hydroxymethyl)oxetan-2-yl]-3H-purine-2,6-dione CAS Name: 9-[(2R,3R,4S)-3,4-bis(hydroxymethyl)-2-oxetanyl]-3H-purine-2,6-dione IUPAC Name: 9-[(2R,3R,4S)-3,4-bis(hydroxymethyl)oxetan-2-yl]-3H-purine-2,6-dione Traditional Name: 9-[(2R,3R,4S)-3,4-dimethyloloxetan-2-yl]xanthine Formula: C10H12N4O5 MolecularWeight: 268.22608

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(O3)CO)CO)NC(=O)NC2=O

Isomeric SMILES

C1=NC2=C(N1[C@H]3[C@@H]([C@H](O3)CO)CO)NC(=O)NC2=O

InChI

InChI=1S/C10H12N4O5/c15-1-4-5(2-16)19-9(4)14-3-11-6-7(14)12-10(18)13-8(6)17/h3-5,9,15-16H,1-2H2,(H2,12,13,17,18)/t4-,5-,9-/m1/s1