8-[(4-nitrophenyl)methylsulfanyl]-7H-purine

Systemtic Name: 8-[(4-nitrophenyl)methylsulfanyl]-7H-purine Openeye Name: 8-[(4-nitrophenyl)methylsulfanyl]-7H-purine CAS Name: 8-[(4-nitrophenyl)methylthio]-7H-purine IUPAC Name: 8-[(4-nitrophenyl)methylsulfanyl]-7H-purine Traditional Name: 8-[(4-nitrobenzyl)thio]-7H-purine Formula: C12H9N5O2S MolecularWeight: 287.29716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC3=NC=NC=C3N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC3=NC=NC=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C12H9N5O2S/c18-17(19)9-3-1-8(2-4-9)6-20-12-15-10-5-13-7-14-11(10)16-12/h1-5,7H,6H2,(H,13,14,15,16)