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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[2-oxidanylidene-2-(2-oxidanylidene-1,3-oxazolidin-3-yl)ethyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-(2-oxooxazolidin-3-yl)ethyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-(2-oxo-3-oxazolidinyl)ethyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]purine-2,6-dione Traditional Name: 8-chloro-7-[2-keto-2-(2-ketooxazolidin-3-yl)ethyl]-1,3-dimethyl-xanthine Formula: C12H12ClN5O5 MolecularWeight: 341.70718

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N3CCOC3=O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N3CCOC3=O

InChI

InChI=1S/C12H12ClN5O5/c1-15-8-7(9(20)16(2)11(15)21)18(10(13)14-8)5-6(19)17-3-4-23-12(17)22/h3-5H2,1-2H3