6-[(2-nitrophenyl)methylsulfanyl]-5H-purine

Systemtic Name: 6-[(2-nitrophenyl)methylsulfanyl]-5H-purine Openeye Name: 6-[(2-nitrophenyl)methylsulfanyl]-5H-purine CAS Name: 6-[(2-nitrophenyl)methylthio]-5H-purine IUPAC Name: 6-[(2-nitrophenyl)methylsulfanyl]-5H-purine Traditional Name: 6-[(2-nitrobenzyl)thio]-5H-purine Formula: C12H9N5O2S MolecularWeight: 287.29716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC=NC3=NC=NC32)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC=NC3=NC=NC32)[N+](=O)[O-]

InChI

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