8-(2,1,3-benzothiadiazol-5-ylmethylsulfanyl)-7H-purin-6-amine

Systemtic Name: 8-(2,1,3-benzothiadiazol-5-ylmethylsulfanyl)-7H-purin-6-amine Openeye Name: 8-(2,1,3-benzothiadiazol-5-ylmethylsulfanyl)-7H-purin-6-amine CAS Name: 8-(2,1,3-benzothiadiazol-5-ylmethylthio)-7H-purin-6-amine IUPAC Name: 8-(2,1,3-benzothiadiazol-5-ylmethylsulfanyl)-7H-purin-6-amine Traditional Name: [8-(piazthiol-5-ylmethylthio)-7H-purin-6-yl]amine Formula: C12H9N7S2 MolecularWeight: 315.37676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C=C1CSC3=NC4=C(N3)C(=NC=N4)N

Isomeric SMILES

C1=CC2=NSN=C2C=C1CSC3=NC4=C(N3)C(=NC=N4)N

InChI

InChI=1S/C12H9N7S2/c13-10-9-11(15-5-14-10)17-12(16-9)20-4-6-1-2-7-8(3-6)19-21-18-7/h1-3,5H,4H2,(H3,13,14,15,16,17)