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

Systemtic Name: 6-(2-bromoethylsulfanyl)-9-(phenylmethyl)purine Openeye Name: 9-benzyl-6-(2-bromoethylsulfanyl)purine CAS Name: 6-(2-bromoethylthio)-9-(phenylmethyl)purine IUPAC Name: 9-benzyl-6-(2-bromoethylsulfanyl)purine Traditional Name: 9-benzyl-6-(2-bromoethylthio)purine Formula: C14H13BrN4S MolecularWeight: 349.24882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3SCCBr

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3SCCBr

InChI

InChI=1S/C14H13BrN4S/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