3,7-dimethyl-1-(2-methyl-2-oxidanyl-propyl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(2-methyl-2-oxidanyl-propyl)purine-2,6-dione Openeye Name: 1-(2-hydroxy-2-methyl-propyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(2-hydroxy-2-methylpropyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(2-hydroxy-2-methylpropyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(2-hydroxy-2-methyl-propyl)-3,7-dimethyl-xanthine Formula: C11H16N4O3 MolecularWeight: 252.26974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N4O3/c1-11(2,18)5-15-9(16)7-8(12-6-13(7)3)14(4)10(15)17/h6,18H,5H2,1-4H3