8-bromanyl-9-(3-methoxypropyl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-9-(3-methoxypropyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-9-(3-methoxypropyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-9-(3-methoxypropyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-9-(3-methoxypropyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-9-(3-methoxypropyl)-1,3-dimethyl-xanthine Formula: C11H15BrN4O3 MolecularWeight: 331.1658

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CCCOC)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CCCOC)Br

InChI

InChI=1S/C11H15BrN4O3/c1-14-8-7(9(17)15(2)11(14)18)13-10(12)16(8)5-4-6-19-3/h4-6H2,1-3H3