6-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)-7H-purine

Systemtic Name: 6-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)-7H-purine Openeye Name: 6-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)-7H-purine CAS Name: 6-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylthio)-7H-purine IUPAC Name: 6-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)-7H-purine Traditional Name: 6-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylthio)-7H-purine Formula: C13H7Cl2N7S MolecularWeight: 364.21258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)C2=C3C(=NC(=N2)SC4=NC=NN4)N=CN3

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)C2=C3C(=NC(=N2)SC4=NC=NN4)N=CN3

InChI

InChI=1S/C13H7Cl2N7S/c14-6-1-2-7(8(15)3-6)9-10-11(17-4-16-10)21-13(20-9)23-12-18-5-19-22-12/h1-5H,(H,18,19,22)(H,16,17,20,21)