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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(2-methylpropyl)-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-1-isobutyl-3-methyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-3-methyl-1-(2-methylpropyl)-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(2-methylpropyl)-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-1-isobutyl-3-methyl-7-(3-phenylpropyl)xanthine Formula: C24H30N6O2 MolecularWeight: 434.534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2CCCC4=CC=CC=C4)C(=O)N(C(=O)N3C)CC(C)C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2CCCC4=CC=CC=C4)C(=O)N(C(=O)N3C)CC(C)C)C

InChI

InChI=1S/C24H30N6O2/c1-16(2)15-29-22(31)20-21(27(5)24(29)32)25-23(30-18(4)14-17(3)26-30)28(20)13-9-12-19-10-7-6-8-11-19/h6-8,10-11,14,16H,9,12-13,15H2,1-5H3