6-[(4-nitrophenyl)methylsulfanyl]-9-phenethyl-purine

Systemtic Name: 6-[(4-nitrophenyl)methylsulfanyl]-9-phenethyl-purine Openeye Name: 6-[(4-nitrophenyl)methylsulfanyl]-9-phenethyl-purine CAS Name: 6-[(4-nitrophenyl)methylthio]-9-phenethylpurine IUPAC Name: 6-[(4-nitrophenyl)methylsulfanyl]-9-phenethylpurine Traditional Name: 6-[(4-nitrobenzyl)thio]-9-phenethyl-purine Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C=NC3=C2N=CN=C3SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCN2C=NC3=C2N=CN=C3SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O2S/c26-25(27)17-8-6-16(7-9-17)12-28-20-18-19(21-13-22-20)24(14-23-18)11-10-15-4-2-1-3-5-15/h1-9,13-14H,10-12H2