9-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 9-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 9-[2-(4-chlorophenyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 9-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 9-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 9-[2-(4-chlorophenyl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C15H13ClN4O3 MolecularWeight: 332.74172

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=CN2CC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=CN2CC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H13ClN4O3/c1-18-13-12(14(22)19(2)15(18)23)17-8-20(13)7-11(21)9-3-5-10(16)6-4-9/h3-6,8H,7H2,1-2H3