6-[(4-nitrophenyl)methylsulfanyl]-9-(phenylmethyl)purine

Systemtic Name: 6-[(4-nitrophenyl)methylsulfanyl]-9-(phenylmethyl)purine Openeye Name: 9-benzyl-6-[(4-nitrophenyl)methylsulfanyl]purine CAS Name: 6-[(4-nitrophenyl)methylthio]-9-(phenylmethyl)purine IUPAC Name: 9-benzyl-6-[(4-nitrophenyl)methylsulfanyl]purine Traditional Name: 9-benzyl-6-[(4-nitrobenzyl)thio]purine Formula: C19H15N5O2S MolecularWeight: 377.4197

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H15N5O2S/c25-24(26)16-8-6-15(7-9-16)11-27-19-17-18(20-12-21-19)23(13-22-17)10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2