8-[(4-chlorophenyl)methylsulfanyl]-7H-purin-6-amine

Systemtic Name: 8-[(4-chlorophenyl)methylsulfanyl]-7H-purin-6-amine Openeye Name: 8-[(4-chlorophenyl)methylsulfanyl]-7H-purin-6-amine CAS Name: 8-[(4-chlorophenyl)methylthio]-7H-purin-6-amine IUPAC Name: 8-[(4-chlorophenyl)methylsulfanyl]-7H-purin-6-amine Traditional Name: [8-[(4-chlorobenzyl)thio]-7H-purin-6-yl]amine Formula: C12H10ClN5S MolecularWeight: 291.7593

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC3=C(N2)C(=NC=N3)N)Cl

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC3=C(N2)C(=NC=N3)N)Cl

InChI

InChI=1S/C12H10ClN5S/c13-8-3-1-7(2-4-8)5-19-12-17-9-10(14)15-6-16-11(9)18-12/h1-4,6H,5H2,(H3,14,15,16,17,18)