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

Systemtic Name: 9-[(4-iodophenyl)methyl]-6-[(4-nitrophenyl)methylsulfanyl]purine Openeye Name: 9-[(4-iodophenyl)methyl]-6-[(4-nitrophenyl)methylsulfanyl]purine CAS Name: 9-[(4-iodophenyl)methyl]-6-[(4-nitrophenyl)methylthio]purine IUPAC Name: 9-[(4-iodophenyl)methyl]-6-[(4-nitrophenyl)methylsulfanyl]purine Traditional Name: 9-(4-iodobenzyl)-6-[(4-nitrobenzyl)thio]purine Formula: C19H14IN5O2S MolecularWeight: 503.31623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC3=C2N=CN=C3SCC4=CC=C(C=C4)[N+](=O)[O-])I

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=C2N=CN=C3SCC4=CC=C(C=C4)[N+](=O)[O-])I

InChI

InChI=1S/C19H14IN5O2S/c20-15-5-1-13(2-6-15)9-24-12-23-17-18(24)21-11-22-19(17)28-10-14-3-7-16(8-4-14)25(26)27/h1-8,11-12H,9-10H2