8-bromanyl-3-methyl-1,7-dipropyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-3-methyl-1,7-dipropyl-purine-2,6-dione Openeye Name: 8-bromo-3-methyl-1,7-dipropyl-purine-2,6-dione CAS Name: 8-bromo-3-methyl-1,7-dipropylpurine-2,6-dione IUPAC Name: 8-bromo-3-methyl-1,7-dipropylpurine-2,6-dione Traditional Name: 8-bromo-3-methyl-1,7-dipropyl-xanthine Formula: C12H17BrN4O2 MolecularWeight: 329.19298

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1Br)N(C(=O)N(C2=O)CCC)C

Isomeric SMILES

CCCN1C2=C(N=C1Br)N(C(=O)N(C2=O)CCC)C

InChI

InChI=1S/C12H17BrN4O2/c1-4-6-16-8-9(14-11(16)13)15(3)12(19)17(7-5-2)10(8)18/h4-7H2,1-3H3