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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC)N3C(=CC(=N3)C)C)N(C1=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC)N3C(=CC(=N3)C)C)N(C1=O)C

InChI

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