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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(2-methylpropyl)-1-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 1-acetonyl-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-(2-oxopropyl)purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(2-methylpropyl)-1-(2-oxopropyl)purine-2,6-dione Traditional Name: 1-acetonyl-8-(3,5-dimethylpyrazol-1-yl)-7-isobutyl-3-methyl-xanthine Formula: C18H24N6O3 MolecularWeight: 372.42156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O3/c1-10(2)8-22-14-15(19-17(22)24-12(4)7-11(3)20-24)21(6)18(27)23(16(14)26)9-13(5)25/h7,10H,8-9H2,1-6H3