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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(2-methylpropyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(3,5-dimethylpyrazol-1-yl)-1-isobutyl-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-3-methyl-1-(2-methylpropyl)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(2-methylpropyl)purine-2,6-dione Traditional Name: 7-benzyl-8-(3,5-dimethylpyrazol-1-yl)-1-isobutyl-3-methyl-xanthine Formula: C22H26N6O2 MolecularWeight: 406.48084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)CC(C)C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)CC(C)C)C

InChI

InChI=1S/C22H26N6O2/c1-14(2)12-27-20(29)18-19(25(5)22(27)30)23-21(28-16(4)11-15(3)24-28)26(18)13-17-9-7-6-8-10-17/h6-11,14H,12-13H2,1-5H3