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

Systemtic Name: 8-chloranyl-7-(hydroxymethyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-(hydroxymethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-(hydroxymethyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-(hydroxymethyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-methylol-xanthine Formula: C8H9ClN4O3 MolecularWeight: 244.63506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9ClN4O3/c1-11-5-4(6(15)12(2)8(11)16)13(3-14)7(9)10-5/h14H,3H2,1-2H3