3-[(Z)-(3,7-dimethylpurin-6-ylidene)methyl]-1,3-benzothiazol-3-ium

Systemtic Name: 3-[(Z)-(3,7-dimethylpurin-6-ylidene)methyl]-1,3-benzothiazol-3-ium Openeye Name: 3-[(Z)-(3,7-dimethylpurin-6-ylidene)methyl]-1,3-benzothiazol-3-ium CAS Name: 3-[(Z)-(3,7-dimethyl-6-purinylidene)methyl]-1,3-benzothiazol-3-ium IUPAC Name: 3-[(Z)-(3,7-dimethylpurin-6-ylidene)methyl]-1,3-benzothiazol-3-ium Traditional Name: 3-[(Z)-(3,7-dimethylpurin-6-ylidene)methyl]-1,3-benzothiazol-3-ium Formula: C15H14N5S+ MolecularWeight: 296.37016

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=C[N+]3=CSC4=CC=CC=C43)N=CN2C

Isomeric SMILES

CN1C=NC2=C1/C(=C/[N+]3=CSC4=CC=CC=C43)/N=CN2C

InChI

InChI=1S/C15H14N5S/c1-18-9-17-15-14(18)11(16-8-19(15)2)7-20-10-21-13-6-4-3-5-12(13)20/h3-10H,1-2H3/q+1/b11-7-