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

Systemtic Name: 1-[(2,5-dimethylphenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-purine-2,6-dione Openeye Name: 1-[(2,5-dimethylphenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-purine-2,6-dione CAS Name: 1-[(2,5-dimethylphenyl)methyl]-8-(3,5-dimethyl-1-pyrazolyl)-7-ethyl-3-methylpurine-2,6-dione IUPAC Name: 1-[(2,5-dimethylphenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methylpurine-2,6-dione Traditional Name: 1-(2,5-dimethylbenzyl)-8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-xanthine Formula: C22H26N6O2 MolecularWeight: 406.48084

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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=C(C=CC(=C4)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6O2/c1-7-26-18-19(23-21(26)28-16(5)11-15(4)24-28)25(6)22(30)27(20(18)29)12-17-10-13(2)8-9-14(17)3/h8-11H,7,12H2,1-6H3