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

Systemtic Name: 3,7-dimethyl-1-(2-methyl-3-oxidanyl-butyl)purine-2,6-dione Openeye Name: 1-(3-hydroxy-2-methyl-butyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(3-hydroxy-2-methylbutyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(3-hydroxy-2-methylbutyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(3-hydroxy-2-methyl-butyl)-3,7-dimethyl-xanthine Formula: C12H18N4O3 MolecularWeight: 266.29632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O3/c1-7(8(2)17)5-16-11(18)9-10(13-6-14(9)3)15(4)12(16)19/h6-8,17H,5H2,1-4H3