1,3,7-trimethyl-8-(trichloromethyl)purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-(trichloromethyl)purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-(trichloromethyl)purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-(trichloromethyl)purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-(trichloromethyl)purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-(trichloromethyl)xanthine Formula: C9H9Cl3N4O2 MolecularWeight: 311.55236

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C(Cl)(Cl)Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1C(Cl)(Cl)Cl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C9H9Cl3N4O2/c1-14-4-5(13-7(14)9(10,11)12)15(2)8(18)16(3)6(4)17/h1-3H3