9-(4-bromanyl-2-methyl-5-oxidanylidene-2H-pyran-6-yl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 9-(4-bromanyl-2-methyl-5-oxidanylidene-2H-pyran-6-yl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 9-(4-bromo-2-methyl-5-oxo-2H-pyran-6-yl)-1,3-dimethyl-purine-2,6-dione CAS Name: 9-(4-bromo-2-methyl-5-oxo-2H-pyran-6-yl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 9-(4-bromo-2-methyl-5-oxo-2H-pyran-6-yl)-1,3-dimethylpurine-2,6-dione Traditional Name: 9-(4-bromo-5-keto-2-methyl-2H-pyran-6-yl)-1,3-dimethyl-xanthine Formula: C13H13BrN4O4 MolecularWeight: 369.17072

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C(=O)C(O1)N2C=NC3=C2N(C(=O)N(C3=O)C)C)Br

Isomeric SMILES

CC1C=C(C(=O)C(O1)N2C=NC3=C2N(C(=O)N(C3=O)C)C)Br

InChI

InChI=1S/C13H13BrN4O4/c1-6-4-7(14)9(19)12(22-6)18-5-15-8-10(18)16(2)13(21)17(3)11(8)20/h4-6,12H,1-3H3