7-(2,2-dimethylpropyl)-1,8-dimethyl-3H-purine-2,6-dione

Systemtic Name: 7-(2,2-dimethylpropyl)-1,8-dimethyl-3H-purine-2,6-dione Openeye Name: 7-(2,2-dimethylpropyl)-1,8-dimethyl-3H-purine-2,6-dione CAS Name: 7-(2,2-dimethylpropyl)-1,8-dimethyl-3H-purine-2,6-dione IUPAC Name: 7-(2,2-dimethylpropyl)-1,8-dimethyl-3H-purine-2,6-dione Traditional Name: 1,8-dimethyl-7-neopentyl-xanthine Formula: C12H18N4O2 MolecularWeight: 250.29692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC(C)(C)C)C(=O)N(C(=O)N2)C

Isomeric SMILES

CC1=NC2=C(N1CC(C)(C)C)C(=O)N(C(=O)N2)C

InChI

InChI=1S/C12H18N4O2/c1-7-13-9-8(16(7)6-12(2,3)4)10(17)15(5)11(18)14-9/h6H2,1-5H3,(H,14,18)