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

Systemtic Name: 1,7-di(methyl)-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 3-isobutyl-1,7-di(methyl)purine-2,6-dione CAS Name: 1,7-di(methyl)-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 1,7-di(methyl)-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 3-isobutyl-1,7-di(methyl)xanthine Formula: C11H16N4O2 MolecularWeight: 237.262995

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)[13CH3]

InChI

InChI=1S/C11H16N4O2/c1-7(2)5-15-9-8(13(3)6-12-9)10(16)14(4)11(15)17/h6-7H,5H2,1-4H3/i3+1