8-[2,4,5-tris(chloranyl)phenyl]sulfanyl-7H-purin-6-amine

Systemtic Name: 8-[2,4,5-tris(chloranyl)phenyl]sulfanyl-7H-purin-6-amine Openeye Name: 8-(2,4,5-trichlorophenyl)sulfanyl-7H-purin-6-amine CAS Name: 8-[(2,4,5-trichlorophenyl)thio]-7H-purin-6-amine IUPAC Name: 8-(2,4,5-trichlorophenyl)sulfanyl-7H-purin-6-amine Traditional Name: [8-[(2,4,5-trichlorophenyl)thio]-7H-purin-6-yl]amine Formula: C11H6Cl3N5S MolecularWeight: 346.62284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1Cl)Cl)Cl)SC2=NC3=C(N2)C(=NC=N3)N

Isomeric SMILES

C1=C(C(=CC(=C1Cl)Cl)Cl)SC2=NC3=C(N2)C(=NC=N3)N

InChI

InChI=1S/C11H6Cl3N5S/c12-4-1-6(14)7(2-5(4)13)20-11-18-8-9(15)16-3-17-10(8)19-11/h1-3H,(H3,15,16,17,18,19)