1-[(3,4-dichlorophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-purine-2,6-dione

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-purine-2,6-dione Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-purine-2,6-dione CAS Name: 1-[(3,4-dichlorophenyl)methyl]-8-(3,5-dimethyl-1-pyrazolyl)-7-ethyl-3-methylpurine-2,6-dione IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methylpurine-2,6-dione Traditional Name: 1-(3,4-dichlorobenzyl)-8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-xanthine Formula: C20H20Cl2N6O2 MolecularWeight: 447.3178

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CC4=CC(=C(C=C4)Cl)Cl)C

Isomeric SMILES

CCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CC4=CC(=C(C=C4)Cl)Cl)C

InChI

InChI=1S/C20H20Cl2N6O2/c1-5-26-16-17(23-19(26)28-12(3)8-11(2)24-28)25(4)20(30)27(18(16)29)10-13-6-7-14(21)15(22)9-13/h6-9H,5,10H2,1-4H3