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

Systemtic Name: 3,7-dimethyl-1-(3-oxidanylbutyl)purine-2,6-dione Openeye Name: 1-(3-hydroxybutyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(3-hydroxybutyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(3-hydroxybutyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(3-hydroxybutyl)-3,7-dimethyl-xanthine Formula: C11H16N4O3 MolecularWeight: 252.26974

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

Isomeric SMILES

CC(CCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

InChI

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