1,3-dimethyl-7-[[(2S)-1-oxidanylidene-1,3-dithiolan-2-yl]methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[[(2S)-1-oxidanylidene-1,3-dithiolan-2-yl]methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[[(2S)-1-oxo-1,3-dithiolan-2-yl]methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[[(2S)-1-oxo-1,3-dithiolan-2-yl]methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[[(2S)-1-oxo-1,3-dithiolan-2-yl]methyl]purine-2,6-dione Traditional Name: 7-[[(2S)-1-keto-1,3-dithiolan-2-yl]methyl]-1,3-dimethyl-xanthine Formula: C11H14N4O3S2 MolecularWeight: 314.38386

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3SCCS3=O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C[C@H]3SCCS3=O

InChI

InChI=1S/C11H14N4O3S2/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-19-3-4-20(7)18/h6-7H,3-5H2,1-2H3/t7-,20?/m0/s1