9-(2-bromoethyl)-6-(4-chlorophenyl)sulfanyl-purin-2-amine

Systemtic Name: 9-(2-bromoethyl)-6-(4-chlorophenyl)sulfanyl-purin-2-amine Openeye Name: 9-(2-bromoethyl)-6-(4-chlorophenyl)sulfanyl-purin-2-amine CAS Name: 9-(2-bromoethyl)-6-[(4-chlorophenyl)thio]-2-purinamine IUPAC Name: 9-(2-bromoethyl)-6-(4-chlorophenyl)sulfanylpurin-2-amine Traditional Name: [9-(2-bromoethyl)-6-[(4-chlorophenyl)thio]purin-2-yl]amine Formula: C13H11BrClN5S MolecularWeight: 384.68194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SC2=NC(=NC3=C2N=CN3CCBr)N)Cl

Isomeric SMILES

C1=CC(=CC=C1SC2=NC(=NC3=C2N=CN3CCBr)N)Cl

InChI

InChI=1S/C13H11BrClN5S/c14-5-6-20-7-17-10-11(20)18-13(16)19-12(10)21-9-3-1-8(15)2-4-9/h1-4,7H,5-6H2,(H2,16,18,19)