[(2S,5R)-5-[2-azanyl-6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]oxolan-2-yl]methoxy-oxidanyl-oxidanylidene-phosphanium

Systemtic Name: [(2S,5R)-5-[2-azanyl-6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]oxolan-2-yl]methoxy-oxidanyl-oxidanylidene-phosphanium Openeye Name: [(2S,5R)-5-[2-amino-6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]tetrahydrofuran-2-yl]methoxy-hydroxy-oxo-phosphonium CAS Name: [(2S,5R)-5-[2-amino-6-[(4-nitrophenyl)methylthio]-9-purinyl]-2-oxolanyl]methoxy-hydroxy-oxophosphonium IUPAC Name: [(2S,5R)-5-[2-amino-6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]oxolan-2-yl]methoxy-hydroxy-oxophosphanium Traditional Name: [(2S,5R)-5-[2-amino-6-[(4-nitrobenzyl)thio]purin-9-yl]tetrahydrofuran-2-yl]methoxy-hydroxy-keto-phosphonium Formula: C17H18N6O6PS+ MolecularWeight: 465.400181

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1CO[P+](=O)O)N2C=NC3=C2N=C(N=C3SCC4=CC=C(C=C4)[N+](=O)[O-])N

Isomeric SMILES

C1C[C@@H](O[C@@H]1CO[P+](=O)O)N2C=NC3=C2N=C(N=C3SCC4=CC=C(C=C4)[N+](=O)[O-])N

InChI

InChI=1S/C17H17N6O6PS/c18-17-20-15-14(16(21-17)31-8-10-1-3-11(4-2-10)23(24)25)19-9-22(15)13-6-5-12(29-13)7-28-30(26)27/h1-4,9,12-13H,5-8H2,(H2-,18,20,21,26,27)/p+1/t12-,13+/m0/s1