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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-(2-oxo-2-pyrrolidin-1-yl-ethyl)purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-(1-pyrrolidinyl)ethyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-(2-oxo-2-pyrrolidin-1-ylethyl)purine-2,6-dione Traditional Name: 8-chloro-7-(2-keto-2-pyrrolidino-ethyl)-1,3-dimethyl-xanthine Formula: C13H16ClN5O3 MolecularWeight: 325.75084

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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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN5O3/c1-16-10-9(11(21)17(2)13(16)22)19(12(14)15-10)7-8(20)18-5-3-4-6-18/h3-7H2,1-2H3