8-chloranyl-1,3-dimethyl-7-[2-oxidanylidene-2-(2-oxidanylideneimidazolidin-1-yl)ethyl]purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[2-oxidanylidene-2-(2-oxidanylideneimidazolidin-1-yl)ethyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-(2-oxo-1-imidazolidinyl)ethyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]purine-2,6-dione Traditional Name: 8-chloro-7-[2-keto-2-(2-ketoimidazolidin-1-yl)ethyl]-1,3-dimethyl-xanthine Formula: C12H13ClN6O4 MolecularWeight: 340.72242

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N3CCNC3=O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N3CCNC3=O

InChI

InChI=1S/C12H13ClN6O4/c1-16-8-7(9(21)17(2)12(16)23)19(10(13)15-8)5-6(20)18-4-3-14-11(18)22/h3-5H2,1-2H3,(H,14,22)