7-[2-(4-chlorophenyl)-2-oxidanyl-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-(4-chlorophenyl)-2-oxidanyl-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(4-chlorophenyl)-2-hydroxy-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(4-chlorophenyl)-2-hydroxyethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(4-chlorophenyl)-2-hydroxyethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(4-chlorophenyl)-2-hydroxy-ethyl]-1,3-dimethyl-xanthine Formula: C15H15ClN4O3 MolecularWeight: 334.7576

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(C3=CC=C(C=C3)Cl)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C15H15ClN4O3/c1-18-13-12(14(22)19(2)15(18)23)20(8-17-13)7-11(21)9-3-5-10(16)6-4-9/h3-6,8,11,21H,7H2,1-2H3