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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-1-ethyl-3-methyl-7-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-1-ethyl-7-isobutyl-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-1-ethyl-3-methyl-7-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-1-ethyl-3-methyl-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-1-ethyl-7-isobutyl-3-methyl-xanthine Formula: C17H24N6O2 MolecularWeight: 344.41146

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2CC(C)C)N3C(=CC(=N3)C)C)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2CC(C)C)N3C(=CC(=N3)C)C)N(C1=O)C

InChI

InChI=1S/C17H24N6O2/c1-7-21-15(24)13-14(20(6)17(21)25)18-16(22(13)9-10(2)3)23-12(5)8-11(4)19-23/h8,10H,7,9H2,1-6H3