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

Systemtic Name: 7-[(2,5-dimethylphenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-purine-2,6-dione Openeye Name: 7-[(2,5-dimethylphenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-purine-2,6-dione CAS Name: 7-[(2,5-dimethylphenyl)methyl]-8-(3,5-dimethyl-1-pyrazolyl)-3-methylpurine-2,6-dione IUPAC Name: 7-[(2,5-dimethylphenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-3-methylpurine-2,6-dione Traditional Name: 7-(2,5-dimethylbenzyl)-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-xanthine Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C3=C(N=C2N4C(=CC(=N4)C)C)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C3=C(N=C2N4C(=CC(=N4)C)C)N(C(=O)NC3=O)C

InChI

InChI=1S/C20H22N6O2/c1-11-6-7-12(2)15(8-11)10-25-16-17(24(5)20(28)22-18(16)27)21-19(25)26-14(4)9-13(3)23-26/h6-9H,10H2,1-5H3,(H,22,27,28)