N-[2-(2-chloroethylsulfanyl)ethyl]-5H-purin-6-amine

Systemtic Name: N-[2-(2-chloroethylsulfanyl)ethyl]-5H-purin-6-amine Openeye Name: N-[2-(2-chloroethylsulfanyl)ethyl]-5H-purin-6-amine CAS Name: N-[2-(2-chloroethylthio)ethyl]-5H-purin-6-amine IUPAC Name: N-[2-(2-chloroethylsulfanyl)ethyl]-5H-purin-6-amine Traditional Name: 2-(2-chloroethylthio)ethyl-(5H-purin-6-yl)amine Formula: C9H12ClN5S MolecularWeight: 257.74308

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2C(=N1)N=CN=C2NCCSCCCl

Isomeric SMILES

C1=NC2C(=N1)N=CN=C2NCCSCCCl

InChI

InChI=1S/C9H12ClN5S/c10-1-3-16-4-2-11-8-7-9(13-5-12-7)15-6-14-8/h5-7H,1-4H2,(H,11,12,13,14,15)