6-[(3,4-dichlorophenyl)methylsulfanyl]-5H-purin-2-amine

Systemtic Name: 6-[(3,4-dichlorophenyl)methylsulfanyl]-5H-purin-2-amine Openeye Name: 6-[(3,4-dichlorophenyl)methylsulfanyl]-5H-purin-2-amine CAS Name: 6-[(3,4-dichlorophenyl)methylthio]-5H-purin-2-amine IUPAC Name: 6-[(3,4-dichlorophenyl)methylsulfanyl]-5H-purin-2-amine Traditional Name: [6-[(3,4-dichlorobenzyl)thio]-5H-purin-2-yl]amine Formula: C12H9Cl2N5S MolecularWeight: 326.20436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CSC2=NC(=NC3=NC=NC32)N)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CSC2=NC(=NC3=NC=NC32)N)Cl)Cl

InChI

InChI=1S/C12H9Cl2N5S/c13-7-2-1-6(3-8(7)14)4-20-11-9-10(17-5-16-9)18-12(15)19-11/h1-3,5,9H,4H2,(H2,15,16,17,18)