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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[2-oxidanylidene-2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-(2-oxo-1-pyrrolidinyl)ethyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]purine-2,6-dione Traditional Name: 8-chloro-7-[2-keto-2-(2-ketopyrrolidino)ethyl]-1,3-dimethyl-xanthine Formula: C13H14ClN5O4 MolecularWeight: 339.73436

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N3CCCC3=O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N3CCCC3=O

InChI

InChI=1S/C13H14ClN5O4/c1-16-10-9(11(22)17(2)13(16)23)19(12(14)15-10)6-8(21)18-5-3-4-7(18)20/h3-6H2,1-2H3