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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1N3C(=CC(=N3)CC)CC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCN1C2=C(N=C1N3C(=CC(=N3)CC)CC)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H24N6O2/c1-5-8-9-22-13-14(21(4)17(25)19-15(13)24)18-16(22)23-12(7-3)10-11(6-2)20-23/h10H,5-9H2,1-4H3,(H,19,24,25)