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

Systemtic Name: 7-ethyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 7-ethyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 7-ethyl-3-methyl-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 7-ethyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 7-ethyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C14H18N6O2 MolecularWeight: 302.33172

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1N3C(=C(C(=N3)C)C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1N3C(=C(C(=N3)C)C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H18N6O2/c1-6-19-10-11(18(5)14(22)16-12(10)21)15-13(19)20-9(4)7(2)8(3)17-20/h6H2,1-5H3,(H,16,21,22)