6-[(2-nitrophenyl)methylsulfanyl]-7H-purine

Systemtic Name: 6-[(2-nitrophenyl)methylsulfanyl]-7H-purine Openeye Name: 6-[(2-nitrophenyl)methylsulfanyl]-7H-purine CAS Name: 6-[(2-nitrophenyl)methylthio]-7H-purine IUPAC Name: 6-[(2-nitrophenyl)methylsulfanyl]-7H-purine Traditional Name: 6-[(2-nitrobenzyl)thio]-7H-purine Formula: C12H9N5O2S MolecularWeight: 287.29716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC=NC3=C2NC=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC=NC3=C2NC=N3)[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/h1-4,6-7H,5H2,(H,13,14,15,16)