(2Z)-2-[(3,7-dimethylpurin-3-ium-6-yl)methylidene]-3-methyl-1,3-benzothiazole

Systemtic Name: (2Z)-2-[(3,7-dimethylpurin-3-ium-6-yl)methylidene]-3-methyl-1,3-benzothiazole Openeye Name: (2Z)-2-[(3,7-dimethylpurin-3-ium-6-yl)methylene]-3-methyl-1,3-benzothiazole CAS Name: (2Z)-2-[(3,7-dimethyl-6-purin-3-iumyl)methylidene]-3-methyl-1,3-benzothiazole IUPAC Name: (2Z)-2-[(3,7-dimethylpurin-3-ium-6-yl)methylidene]-3-methyl-1,3-benzothiazole Traditional Name: (2Z)-2-[(3,7-dimethylpurin-3-ium-6-yl)methylene]-3-methyl-1,3-benzothiazole Formula: C16H16N5S+ MolecularWeight: 310.39674

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=[N+](C=NC(=C21)C=C3N(C4=CC=CC=C4S3)C)C

Isomeric SMILES

CN1C=NC2=[N+](C=NC(=C21)/C=C\3/N(C4=CC=CC=C4S3)C)C

InChI

InChI=1S/C16H16N5S/c1-19-10-18-16-15(19)11(17-9-20(16)2)8-14-21(3)12-6-4-5-7-13(12)22-14/h4-10H,1-3H3/q+1