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

Systemtic Name: 1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione Openeye Name: 7-isobutyl-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 7-isobutyl-1,3-dimethyl-xanthine Formula: C11H16N4O2 MolecularWeight: 236.27034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C11H16N4O2/c1-7(2)5-15-6-12-9-8(15)10(16)14(4)11(17)13(9)3/h6-7H,5H2,1-4H3