8-chloranyl-7-(2-hydroxyethyl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-7-(2-hydroxyethyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-(2-hydroxyethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-(2-hydroxyethyl)-1,3-dimethyl-xanthine Formula: C9H11ClN4O3 MolecularWeight: 258.66164

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CCO

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CCO

InChI

InChI=1S/C9H11ClN4O3/c1-12-6-5(7(16)13(2)9(12)17)14(3-4-15)8(10)11-6/h15H,3-4H2,1-2H3