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

Systemtic Name: 3,7-bis(2,2-dimethylpropyl)-1-methyl-purine-2,6-dione Openeye Name: 3,7-bis(2,2-dimethylpropyl)-1-methyl-purine-2,6-dione CAS Name: 3,7-bis(2,2-dimethylpropyl)-1-methylpurine-2,6-dione IUPAC Name: 3,7-bis(2,2-dimethylpropyl)-1-methylpurine-2,6-dione Traditional Name: 1-methyl-3,7-dineopentyl-xanthine Formula: C16H26N4O2 MolecularWeight: 306.40324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC(C)(C)C)C

Isomeric SMILES

CC(C)(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC(C)(C)C)C

InChI

InChI=1S/C16H26N4O2/c1-15(2,3)8-19-10-17-12-11(19)13(21)18(7)14(22)20(12)9-16(4,5)6/h10H,8-9H2,1-7H3