6-[(4-nitrophenyl)methylsulfanyl]-9-[(2-phenylphenyl)methyl]purine

Systemtic Name: 6-[(4-nitrophenyl)methylsulfanyl]-9-[(2-phenylphenyl)methyl]purine Openeye Name: 6-[(4-nitrophenyl)methylsulfanyl]-9-[(2-phenylphenyl)methyl]purine CAS Name: 6-[(4-nitrophenyl)methylthio]-9-[(2-phenylphenyl)methyl]purine IUPAC Name: 6-[(4-nitrophenyl)methylsulfanyl]-9-[(2-phenylphenyl)methyl]purine Traditional Name: 6-[(4-nitrobenzyl)thio]-9-(2-phenylbenzyl)purine Formula: C25H19N5O2S MolecularWeight: 453.51566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2CN3C=NC4=C3N=CN=C4SCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2CN3C=NC4=C3N=CN=C4SCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H19N5O2S/c31-30(32)21-12-10-18(11-13-21)15-33-25-23-24(26-16-27-25)29(17-28-23)14-20-8-4-5-9-22(20)19-6-2-1-3-7-19/h1-13,16-17H,14-15H2