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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2CC(C)C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2CC(C)C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4)C

InChI

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