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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(2-methylpropyl)-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-1-isobutyl-7-isopropyl-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-3-methyl-1-(2-methylpropyl)-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(2-methylpropyl)-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-1-isobutyl-7-isopropyl-3-methyl-xanthine Formula: C18H26N6O2 MolecularWeight: 358.43804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)CC(C)C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)CC(C)C)C

InChI

InChI=1S/C18H26N6O2/c1-10(2)9-22-16(25)14-15(21(7)18(22)26)19-17(23(14)11(3)4)24-13(6)8-12(5)20-24/h8,10-11H,9H2,1-7H3