1-ethyl-3-methyl-7-(2-methylprop-2-enyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione

Systemtic Name: 1-ethyl-3-methyl-7-(2-methylprop-2-enyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 1-ethyl-3-methyl-7-(2-methylallyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 1-ethyl-3-methyl-7-(2-methylprop-2-enyl)-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 1-ethyl-3-methyl-7-(2-methylprop-2-enyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 1-ethyl-3-methyl-7-(2-methylallyl)-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C18H24N6O2 MolecularWeight: 356.42216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O2/c1-8-22-16(25)14-15(21(7)18(22)26)19-17(23(14)9-10(2)3)24-13(6)11(4)12(5)20-24/h2,8-9H2,1,3-7H3