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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C(=O)C3=C(N=C(N3C)N4C(=CC(=N4)C)C)N(C2=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C(=O)C3=C(N=C(N3C)N4C(=CC(=N4)C)C)N(C2=O)C

InChI

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