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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2CC3=C(C=CC(=C3)C)C)N4C(=CC(=N4)C)C)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2CC3=C(C=CC(=C3)C)C)N4C(=CC(=N4)C)C)N(C1=O)C

InChI

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