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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(2-methylpropyl)-1-prop-2-enyl-purine-2,6-dione Openeye Name: 1-allyl-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-prop-2-enylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(2-methylpropyl)-1-prop-2-enylpurine-2,6-dione Traditional Name: 1-allyl-8-(3,5-dimethylpyrazol-1-yl)-7-isobutyl-3-methyl-xanthine Formula: C18H24N6O2 MolecularWeight: 356.42216

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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=C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O2/c1-7-8-22-16(25)14-15(21(6)18(22)26)19-17(23(14)10-11(2)3)24-13(5)9-12(4)20-24/h7,9,11H,1,8,10H2,2-6H3