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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1N3C(=CC(=N3)CC)CC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1N3C(=CC(=N3)CC)CC)N(C(=O)NC2=O)C

InChI

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