1,3-dimethyl-7-phenyl-5H-purino[8,9-b][1,3]thiazol-9-ium-2,4-dione bromide

Systemtic Name: 1,3-dimethyl-7-phenyl-5H-purino[8,9-b][1,3]thiazol-9-ium-2,4-dione bromide Openeye Name: 1,3-dimethyl-7-phenyl-5H-purino[8,9-b]thiazol-9-ium-2,4-dione bromide CAS Name: 1,3-dimethyl-7-phenyl-5H-purino[8,9-b]thiazol-9-ium-2,4-dione bromide IUPAC Name: 1,3-dimethyl-7-phenyl-5H-purino[8,9-b][1,3]thiazol-9-ium-2,4-dione bromide Traditional Name: 1,3-dimethyl-7-phenyl-5H-purino[8,9-b]thiazol-9-ium-2,4-quinone bromide Formula: C15H13BrN4O2S MolecularWeight: 393.25832

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC3=[N+]2C=C(S3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC3=[N+]2C=C(S3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C15H12N4O2S.BrH/c1-17-12-11(13(20)18(2)15(17)21)16-14-19(12)8-10(22-14)9-6-4-3-5-7-9;/h3-8H,1-2H3;1H