N-[4-(2-chloroethylsulfanyl)phenyl]-5H-purin-6-amine

Systemtic Name: N-[4-(2-chloroethylsulfanyl)phenyl]-5H-purin-6-amine Openeye Name: N-[4-(2-chloroethylsulfanyl)phenyl]-5H-purin-6-amine CAS Name: N-[4-(2-chloroethylthio)phenyl]-5H-purin-6-amine IUPAC Name: N-[4-(2-chloroethylsulfanyl)phenyl]-5H-purin-6-amine Traditional Name: [4-(2-chloroethylthio)phenyl]-(5H-purin-6-yl)amine Formula: C13H12ClN5S MolecularWeight: 305.78588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC=NC3=NC=NC32)SCCCl

Isomeric SMILES

C1=CC(=CC=C1NC2=NC=NC3=NC=NC32)SCCCl

InChI

InChI=1S/C13H12ClN5S/c14-5-6-20-10-3-1-9(2-4-10)19-13-11-12(16-7-15-11)17-8-18-13/h1-4,7-8,11H,5-6H2,(H,15,16,17,18,19)