8-(3-bromanylpropyl)-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-(3-bromanylpropyl)-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-(3-bromopropyl)-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-(3-bromopropyl)-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-(3-bromopropyl)-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-(3-bromopropyl)-1,3,7-trimethyl-xanthine Formula: C11H15BrN4O2 MolecularWeight: 315.1664

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CCCBr

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CCCBr

InChI

InChI=1S/C11H15BrN4O2/c1-14-7(5-4-6-12)13-9-8(14)10(17)16(3)11(18)15(9)2/h4-6H2,1-3H3