5-(7H-purin-6-ylsulfanylmethyl)-2,1,3-benzothiadiazole

Systemtic Name: 5-(7H-purin-6-ylsulfanylmethyl)-2,1,3-benzothiadiazole Openeye Name: 5-(7H-purin-6-ylsulfanylmethyl)-2,1,3-benzothiadiazole CAS Name: 5-[(7H-purin-6-ylthio)methyl]-2,1,3-benzothiadiazole IUPAC Name: 5-(7H-purin-6-ylsulfanylmethyl)-2,1,3-benzothiadiazole Traditional Name: 5-[(7H-purin-6-ylthio)methyl]piazthiole Formula: C12H8N6S2 MolecularWeight: 300.36212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C=C1CSC3=NC=NC4=C3NC=N4

Isomeric SMILES

C1=CC2=NSN=C2C=C1CSC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C12H8N6S2/c1-2-8-9(18-20-17-8)3-7(1)4-19-12-10-11(14-5-13-10)15-6-16-12/h1-3,5-6H,4H2,(H,13,14,15,16)