8-(3,5-diethylpyrazol-1-yl)-1-ethyl-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 8-(3,5-diethylpyrazol-1-yl)-1-ethyl-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-(3,5-diethylpyrazol-1-yl)-1-ethyl-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(3,5-diethyl-1-pyrazolyl)-1-ethyl-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-(3,5-diethylpyrazol-1-yl)-1-ethyl-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(3,5-diethylpyrazol-1-yl)-1-ethyl-3,7-dimethyl-xanthine Formula: C16H22N6O2 MolecularWeight: 330.38488

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NN1C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC)CC

Isomeric SMILES

CCC1=CC(=NN1C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC)CC

InChI

InChI=1S/C16H22N6O2/c1-6-10-9-11(7-2)22(18-10)15-17-13-12(19(15)4)14(23)21(8-3)16(24)20(13)5/h9H,6-8H2,1-5H3