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6-[(4-nitrophenyl)methylsulfanyl]-9-[4-(oxan-2-yloxy)butyl]purine

6-[(4-nitrophenyl)methylsulfanyl]-9-[4-(oxan-2-yloxy)butyl]purine

Systemtic Name:6-[(4-nitrophenyl)methylsulfanyl]-9-[4-(oxan-2-yloxy)butyl]purine
Openeye Name:6-[(4-nitrophenyl)methylsulfanyl]-9-(4-tetrahydropyran-2-yloxybutyl)purine
CAS Name:6-[(4-nitrophenyl)methylthio]-9-[4-(2-oxanyloxy)butyl]purine
IUPAC Name:6-[(4-nitrophenyl)methylsulfanyl]-9-[4-(oxan-2-yloxy)butyl]purine
Traditional Name:6-[(4-nitrobenzyl)thio]-9-(4-tetrahydropyran-2-yloxybutyl)purine
Formula: C21H25N5O4S
MolecularWeight: 443.5193
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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCCCCN2C=NC3=C2N=CN=C3SCC4=CC=C(C=C4)[N+](=O)[O-]


Isomeric SMILES

C1CCOC(C1)OCCCCN2C=NC3=C2N=CN=C3SCC4=CC=C(C=C4)[N+](=O)[O-]


InChI

InChI=1S/C21H25N5O4S/c27-26(28)17-8-6-16(7-9-17)13-31-21-19-20(22-14-23-21)25(15-24-19)10-2-4-12-30-18-5-1-3-11-29-18/h6-9,14-15,18H,1-5,10-13H2


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