8-azanyl-7-[(2S,3S,4R,5S)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-azanyl-7-[(2S,3S,4R,5S)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-amino-7-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-amino-7-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-amino-7-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-amino-7-[(2S,3S,4R,5S)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-1,3-dimethyl-xanthine Formula: C12H17N5O6 MolecularWeight: 327.29328

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N)C3C(C(C(O3)CO)O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N)[C@@H]3[C@H]([C@H]([C@@H](O3)CO)O)O

InChI

InChI=1S/C12H17N5O6/c1-15-8-5(9(21)16(2)12(15)22)17(11(13)14-8)10-7(20)6(19)4(3-18)23-10/h4,6-7,10,18-20H,3H2,1-2H3,(H2,13,14)/t4-,6-,7-,10-/m0/s1