2-(3,5-dimethylpyrazol-1-yl)-3,7,9-trimethyl-purine-6,8-dione

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)-3,7,9-trimethyl-purine-6,8-dione Openeye Name: 2-(3,5-dimethylpyrazol-1-yl)-3,7,9-trimethyl-purine-6,8-dione CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-3,7,9-trimethylpurine-6,8-dione IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)-3,7,9-trimethylpurine-6,8-dione Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-3,7,9-trimethyl-purine-6,8-quinone Formula: C13H16N6O2 MolecularWeight: 288.30514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC(=O)C3=C(N2C)N(C(=O)N3C)C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC(=O)C3=C(N2C)N(C(=O)N3C)C)C

InChI

InChI=1S/C13H16N6O2/c1-7-6-8(2)19(15-7)12-14-10(20)9-11(17(12)4)18(5)13(21)16(9)3/h6H,1-5H3