6-(phenylmethylsulfanyl)-7H-purine

Systemtic Name: 6-(phenylmethylsulfanyl)-7H-purine Openeye Name: 6-benzylsulfanyl-7H-purine CAS Name: 6-(phenylmethylthio)-7H-purine IUPAC Name: 6-benzylsulfanyl-7H-purine Traditional Name: 6-(benzylthio)-7H-purine Formula: C12H10N4S MolecularWeight: 242.2996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=NC3=C2NC=N3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C12H10N4S/c1-2-4-9(5-3-1)6-17-12-10-11(14-7-13-10)15-8-16-12/h1-5,7-8H,6H2,(H,13,14,15,16)