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

Systemtic Name: 9-butyl-6-[(4-nitrophenyl)methylsulfanyl]purine Openeye Name: 9-butyl-6-[(4-nitrophenyl)methylsulfanyl]purine CAS Name: 9-butyl-6-[(4-nitrophenyl)methylthio]purine IUPAC Name: 9-butyl-6-[(4-nitrophenyl)methylsulfanyl]purine Traditional Name: 9-butyl-6-[(4-nitrobenzyl)thio]purine Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1N=CN=C2SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C=NC2=C1N=CN=C2SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O2S/c1-2-3-8-20-11-19-14-15(20)17-10-18-16(14)24-9-12-4-6-13(7-5-12)21(22)23/h4-7,10-11H,2-3,8-9H2,1H3