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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-(3-oxidanylbutyl)purine-2,6-dione Openeye Name: 8-chloro-7-(3-hydroxybutyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-(3-hydroxybutyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-(3-hydroxybutyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-(3-hydroxybutyl)-1,3-dimethyl-xanthine Formula: C11H15ClN4O3 MolecularWeight: 286.7148

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C)O

Isomeric SMILES

CC(CCN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C)O

InChI

InChI=1S/C11H15ClN4O3/c1-6(17)4-5-16-7-8(13-10(16)12)14(2)11(19)15(3)9(7)18/h6,17H,4-5H2,1-3H3