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

Systemtic Name: 1-butyl-8-(3,5-diethylpyrazol-1-yl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-butyl-8-(3,5-diethylpyrazol-1-yl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-butyl-8-(3,5-diethyl-1-pyrazolyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-butyl-8-(3,5-diethylpyrazol-1-yl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-butyl-8-(3,5-diethylpyrazol-1-yl)-3,7-dimethyl-xanthine Formula: C18H26N6O2 MolecularWeight: 358.43804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C(N2C)N3C(=CC(=N3)CC)CC)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C(N2C)N3C(=CC(=N3)CC)CC)N(C1=O)C

InChI

InChI=1S/C18H26N6O2/c1-6-9-10-23-16(25)14-15(22(5)18(23)26)19-17(21(14)4)24-13(8-3)11-12(7-2)20-24/h11H,6-10H2,1-5H3