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

Systemtic Name: 7-(3-bromanylbutyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(3-bromobutyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(3-bromobutyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(3-bromobutyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(3-bromobutyl)-1,3-dimethyl-xanthine Formula: C11H15BrN4O2 MolecularWeight: 315.1664

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C=NC2=C1C(=O)N(C(=O)N2C)C)Br

Isomeric SMILES

CC(CCN1C=NC2=C1C(=O)N(C(=O)N2C)C)Br

InChI

InChI=1S/C11H15BrN4O2/c1-7(12)4-5-16-6-13-9-8(16)10(17)15(3)11(18)14(9)2/h6-7H,4-5H2,1-3H3