6-[(4-chlorophenyl)methylsulfanyl]-5H-purin-2-amine

Systemtic Name: 6-[(4-chlorophenyl)methylsulfanyl]-5H-purin-2-amine Openeye Name: 6-[(4-chlorophenyl)methylsulfanyl]-5H-purin-2-amine CAS Name: 6-[(4-chlorophenyl)methylthio]-5H-purin-2-amine IUPAC Name: 6-[(4-chlorophenyl)methylsulfanyl]-5H-purin-2-amine Traditional Name: [6-[(4-chlorobenzyl)thio]-5H-purin-2-yl]amine Formula: C12H10ClN5S MolecularWeight: 291.7593

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10ClN5S/c13-8-3-1-7(2-4-8)5-19-11-9-10(16-6-15-9)17-12(14)18-11/h1-4,6,9H,5H2,(H2,14,15,16,17)