3,7-bis(2-methylpropyl)purine-2,6-dione

Systemtic Name: 3,7-bis(2-methylpropyl)purine-2,6-dione Openeye Name: 3,7-diisobutylpurine-2,6-dione CAS Name: 3,7-bis(2-methylpropyl)purine-2,6-dione IUPAC Name: 3,7-bis(2-methylpropyl)purine-2,6-dione Traditional Name: 3,7-diisobutylxanthine Formula: C13H20N4O2 MolecularWeight: 264.3235

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O2/c1-8(2)5-16-7-14-11-10(16)12(18)15-13(19)17(11)6-9(3)4/h7-9H,5-6H2,1-4H3,(H,15,18,19)