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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C

Isomeric SMILES

CC(C)(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C

InChI

InChI=1S/C12H18N4O2/c1-12(2,3)6-16-9-8(14(4)7-13-9)10(17)15(5)11(16)18/h7H,6H2,1-5H3