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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-1-ethyl-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(3,5-dimethylpyrazol-1-yl)-1-ethyl-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-1-ethyl-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(3,5-dimethylpyrazol-1-yl)-1-ethyl-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-(3,5-dimethylpyrazol-1-yl)-1-ethyl-3-methyl-xanthine Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)N4C(=CC(=N4)C)C)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)N4C(=CC(=N4)C)C)N(C1=O)C

InChI

InChI=1S/C20H22N6O2/c1-5-24-18(27)16-17(23(4)20(24)28)21-19(26-14(3)11-13(2)22-26)25(16)12-15-9-7-6-8-10-15/h6-11H,5,12H2,1-4H3