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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2C(C)C)N3C(=CC(=N3)C)C)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2C(C)C)N3C(=CC(=N3)C)C)N(C1=O)C

InChI

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