9-(phenylmethyl)-6-[2-(phenylmethylsulfanyl)ethyl]purine

Systemtic Name: 9-(phenylmethyl)-6-[2-(phenylmethylsulfanyl)ethyl]purine Openeye Name: 9-benzyl-6-(2-benzylsulfanylethyl)purine CAS Name: 9-(phenylmethyl)-6-[2-(phenylmethylthio)ethyl]purine IUPAC Name: 9-benzyl-6-(2-benzylsulfanylethyl)purine Traditional Name: 9-benzyl-6-[2-(benzylthio)ethyl]purine Formula: C21H20N4S MolecularWeight: 360.4753

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C(N=CN=C32)CCSCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C(N=CN=C32)CCSCC4=CC=CC=C4

InChI

InChI=1S/C21H20N4S/c1-3-7-17(8-4-1)13-25-16-24-20-19(22-15-23-21(20)25)11-12-26-14-18-9-5-2-6-10-18/h1-10,15-16H,11-14H2