3-butyl-8-(5-tert-butyl-1H-pyrazol-4-yl)-7-methyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-(5-tert-butyl-1H-pyrazol-4-yl)-7-methyl-purine-2,6-dione Openeye Name: 3-butyl-8-(5-tert-butyl-1H-pyrazol-4-yl)-7-methyl-purine-2,6-dione CAS Name: 3-butyl-8-(5-tert-butyl-1H-pyrazol-4-yl)-7-methylpurine-2,6-dione IUPAC Name: 3-butyl-8-(5-tert-butyl-1H-pyrazol-4-yl)-7-methylpurine-2,6-dione Traditional Name: 3-butyl-8-(5-tert-butyl-1H-pyrazol-4-yl)-7-methyl-xanthine Formula: C17H24N6O2 MolecularWeight: 344.41146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=C(NN=C3)C(C)(C)C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=C(NN=C3)C(C)(C)C)C

InChI

InChI=1S/C17H24N6O2/c1-6-7-8-23-14-11(15(24)20-16(23)25)22(5)13(19-14)10-9-18-21-12(10)17(2,3)4/h9H,6-8H2,1-5H3,(H,18,21)(H,20,24,25)