6-[(4-nitrophenyl)methyl]-1,7-dihydropurine-2-thione

Systemtic Name: 6-[(4-nitrophenyl)methyl]-1,7-dihydropurine-2-thione Openeye Name: 6-[(4-nitrophenyl)methyl]-1,7-dihydropurine-2-thione CAS Name: 6-[(4-nitrophenyl)methyl]-1,7-dihydropurine-2-thione IUPAC Name: 6-[(4-nitrophenyl)methyl]-1,7-dihydropurine-2-thione Traditional Name: 6-(4-nitrobenzyl)-1,7-dihydropurine-2-thione Formula: C12H9N5O2S MolecularWeight: 287.29716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=C3C(=NC(=S)N2)N=CN3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC2=C3C(=NC(=S)N2)N=CN3)[N+](=O)[O-]

InChI

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