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

Systemtic Name: 1-[(3-chlorophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-purine-2,6-dione Openeye Name: 1-[(3-chlorophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-purine-2,6-dione CAS Name: 1-[(3-chlorophenyl)methyl]-8-(3,5-dimethyl-1-pyrazolyl)-7-ethyl-3-methylpurine-2,6-dione IUPAC Name: 1-[(3-chlorophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methylpurine-2,6-dione Traditional Name: 1-(3-chlorobenzyl)-8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-xanthine Formula: C20H21ClN6O2 MolecularWeight: 412.87274

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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(=CC=C4)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN6O2/c1-5-25-16-17(22-19(25)27-13(3)9-12(2)23-27)24(4)20(29)26(18(16)28)11-14-7-6-8-15(21)10-14/h6-10H,5,11H2,1-4H3