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

Systemtic Name: 8-(3,5-diethylpyrazol-1-yl)-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-(3,5-diethylpyrazol-1-yl)-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-(3,5-diethyl-1-pyrazolyl)-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-(3,5-diethylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-(3,5-diethylpyrazol-1-yl)-1,3,7-trimethyl-xanthine Formula: C15H20N6O2 MolecularWeight: 316.3583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NN1C2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)CC

Isomeric SMILES

CCC1=CC(=NN1C2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)CC

InChI

InChI=1S/C15H20N6O2/c1-6-9-8-10(7-2)21(17-9)14-16-12-11(18(14)3)13(22)20(5)15(23)19(12)4/h8H,6-7H2,1-5H3