3,7-dimethyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 3,7-dimethyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 3,7-dimethyl-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 3,7-dimethyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 3,7-dimethyl-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C13H16N6O2 MolecularWeight: 288.30514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C)C2=NC3=C(N2C)C(=O)NC(=O)N3C)C

Isomeric SMILES

CC1=C(N(N=C1C)C2=NC3=C(N2C)C(=O)NC(=O)N3C)C

InChI

InChI=1S/C13H16N6O2/c1-6-7(2)16-19(8(6)3)12-14-10-9(17(12)4)11(20)15-13(21)18(10)5/h1-5H3,(H,15,20,21)