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

Systemtic Name: 3-(4-chlorophenyl)-1,7-diethyl-purine-2,6-dione Openeye Name: 3-(4-chlorophenyl)-1,7-diethyl-purine-2,6-dione CAS Name: 3-(4-chlorophenyl)-1,7-diethylpurine-2,6-dione IUPAC Name: 3-(4-chlorophenyl)-1,7-diethylpurine-2,6-dione Traditional Name: 3-(4-chlorophenyl)-1,7-diethyl-xanthine Formula: C15H15ClN4O2 MolecularWeight: 318.7582

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=C(C=C3)Cl)CC

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=C(C=C3)Cl)CC

InChI

InChI=1S/C15H15ClN4O2/c1-3-18-9-17-13-12(18)14(21)19(4-2)15(22)20(13)11-7-5-10(16)6-8-11/h5-9H,3-4H2,1-2H3