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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-[(3-methylphenyl)methyl]-7-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-7-isobutyl-3-methyl-1-(m-tolylmethyl)purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-3-methyl-1-[(3-methylphenyl)methyl]-7-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-[(3-methylphenyl)methyl]-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-7-isobutyl-3-methyl-1-(3-methylbenzyl)xanthine Formula: C23H28N6O2 MolecularWeight: 420.50742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C(=O)C3=C(N=C(N3CC(C)C)N4C(=CC(=N4)C)C)N(C2=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C(=O)C3=C(N=C(N3CC(C)C)N4C(=CC(=N4)C)C)N(C2=O)C

InChI

InChI=1S/C23H28N6O2/c1-14(2)12-27-19-20(24-22(27)29-17(5)11-16(4)25-29)26(6)23(31)28(21(19)30)13-18-9-7-8-15(3)10-18/h7-11,14H,12-13H2,1-6H3