8-(3,5-diethylpyrazol-1-yl)-3-methyl-7-propan-2-yl-purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N6O2/c1-6-10-8-11(7-2)22(19-10)15-17-13-12(21(15)9(3)4)14(23)18-16(24)20(13)5/h8-9H,6-7H2,1-5H3,(H,18,23,24)