7-[(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-1,3-dimethyl-xanthine Formula: C16H14BrN6O3+ MolecularWeight: 418.22476

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

InChI

InChI=1S/C16H13BrN6O3/c1-20-14-13(15(25)21(2)16(20)26)22(8-18-14)7-10-5-12(24)23-6-9(17)3-4-11(23)19-10/h3-6,8H,7H2,1-2H3/p+1