8-chloranyl-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-chloro-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-chloro-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-chloro-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-chloro-1,3,7-trimethyl-xanthine Formula: C8H9ClN4O2 MolecularWeight: 228.63566

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C8H9ClN4O2/c1-11-4-5(10-7(11)9)12(2)8(15)13(3)6(4)14/h1-3H3