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6-[(4-nitrophenyl)methylsulfanyl]-9-(3-phenylpropyl)purine

6-[(4-nitrophenyl)methylsulfanyl]-9-(3-phenylpropyl)purine

Systemtic Name:6-[(4-nitrophenyl)methylsulfanyl]-9-(3-phenylpropyl)purine
Openeye Name:6-[(4-nitrophenyl)methylsulfanyl]-9-(3-phenylpropyl)purine
CAS Name:6-[(4-nitrophenyl)methylthio]-9-(3-phenylpropyl)purine
IUPAC Name:6-[(4-nitrophenyl)methylsulfanyl]-9-(3-phenylpropyl)purine
Traditional Name:6-[(4-nitrobenzyl)thio]-9-(3-phenylpropyl)purine
Formula: C21H19N5O2S
MolecularWeight: 405.47286
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN2C=NC3=C2N=CN=C3SCC4=CC=C(C=C4)[N+](=O)[O-]


Isomeric SMILES

C1=CC=C(C=C1)CCCN2C=NC3=C2N=CN=C3SCC4=CC=C(C=C4)[N+](=O)[O-]


InChI

InChI=1S/C21H19N5O2S/c27-26(28)18-10-8-17(9-11-18)13-29-21-19-20(22-14-23-21)25(15-24-19)12-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,14-15H,4,7,12-13H2


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