8-(4-chlorophenyl)-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-(4-chlorophenyl)-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-(4-chlorophenyl)-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-(4-chlorophenyl)-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-(4-chlorophenyl)-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-(4-chlorophenyl)-1,3,7-trimethyl-xanthine Formula: C14H13ClN4O2 MolecularWeight: 304.73162

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C3=CC=C(C=C3)Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1C3=CC=C(C=C3)Cl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C14H13ClN4O2/c1-17-10-12(18(2)14(21)19(3)13(10)20)16-11(17)8-4-6-9(15)7-5-8/h4-7H,1-3H3