6-(2-chloroethylsulfanyl)-9-(phenylmethyl)purine

Systemtic Name: 6-(2-chloroethylsulfanyl)-9-(phenylmethyl)purine Openeye Name: 9-benzyl-6-(2-chloroethylsulfanyl)purine CAS Name: 6-(2-chloroethylthio)-9-(phenylmethyl)purine IUPAC Name: 9-benzyl-6-(2-chloroethylsulfanyl)purine Traditional Name: 9-benzyl-6-(2-chloroethylthio)purine Formula: C14H13ClN4S MolecularWeight: 304.79782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3SCCCl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3SCCCl

InChI

InChI=1S/C14H13ClN4S/c15-6-7-20-14-12-13(16-9-17-14)19(10-18-12)8-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2