6-[(4-nitrophenyl)methylsulfanyl]-9-(pyridin-3-ylmethyl)purine

Systemtic Name: 6-[(4-nitrophenyl)methylsulfanyl]-9-(pyridin-3-ylmethyl)purine Openeye Name: 6-[(4-nitrophenyl)methylsulfanyl]-9-(3-pyridylmethyl)purine CAS Name: 6-[(4-nitrophenyl)methylthio]-9-(3-pyridinylmethyl)purine IUPAC Name: 6-[(4-nitrophenyl)methylsulfanyl]-9-(pyridin-3-ylmethyl)purine Traditional Name: 6-[(4-nitrobenzyl)thio]-9-(3-pyridylmethyl)purine Formula: C18H14N6O2S MolecularWeight: 378.40776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N6O2S/c25-24(26)15-5-3-13(4-6-15)10-27-18-16-17(20-11-21-18)23(12-22-16)9-14-2-1-7-19-8-14/h1-8,11-12H,9-10H2