8-(3,5-dimethylpyrazol-1-yl)-1-ethyl-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-1-ethyl-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-1-ethyl-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-1-ethyl-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-1-ethyl-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-1-ethyl-3,7-dimethyl-xanthine Formula: C14H18N6O2 MolecularWeight: 302.33172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2C)N3C(=CC(=N3)C)C)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2C)N3C(=CC(=N3)C)C)N(C1=O)C

InChI

InChI=1S/C14H18N6O2/c1-6-19-12(21)10-11(18(5)14(19)22)15-13(17(10)4)20-9(3)7-8(2)16-20/h7H,6H2,1-5H3