7-(2,2-dimethylpropyl)-1-methyl-3H-purine-2,6-dione

Systemtic Name: 7-(2,2-dimethylpropyl)-1-methyl-3H-purine-2,6-dione Openeye Name: 7-(2,2-dimethylpropyl)-1-methyl-3H-purine-2,6-dione CAS Name: 7-(2,2-dimethylpropyl)-1-methyl-3H-purine-2,6-dione IUPAC Name: 7-(2,2-dimethylpropyl)-1-methyl-3H-purine-2,6-dione Traditional Name: 1-methyl-7-neopentyl-xanthine Formula: C11H16N4O2 MolecularWeight: 236.27034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C=NC2=C1C(=O)N(C(=O)N2)C

Isomeric SMILES

CC(C)(C)CN1C=NC2=C1C(=O)N(C(=O)N2)C

InChI

InChI=1S/C11H16N4O2/c1-11(2,3)5-15-6-12-8-7(15)9(16)14(4)10(17)13-8/h6H,5H2,1-4H3,(H,13,17)