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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CC(C)CN1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

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