[5-[2-[(4-nitrophenyl)methylsulfanyl]-6-oxidanylidene-3H-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

Systemtic Name: [5-[2-[(4-nitrophenyl)methylsulfanyl]-6-oxidanylidene-3H-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate Openeye Name: [3,4-dihydroxy-5-[2-[(4-nitrophenyl)methylsulfanyl]-6-oxo-3H-purin-9-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: [3,4-dihydroxy-5-[2-[(4-nitrophenyl)methylthio]-6-oxo-3H-purin-9-yl]-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: [3,4-dihydroxy-5-[2-[(4-nitrophenyl)methylsulfanyl]-6-oxo-3H-purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate Traditional Name: [3,4-dihydroxy-5-[6-keto-2-[(4-nitrobenzyl)thio]-3H-purin-9-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate Formula: C17H18N5O10PS MolecularWeight: 515.391081

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC(=O)C3=C(N2)N(C=N3)C4C(C(C(O4)COP(=O)(O)O)O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=O)C3=C(N2)N(C=N3)C4C(C(C(O4)COP(=O)(O)O)O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H18N5O10PS/c23-12-10(5-31-33(28,29)30)32-16(13(12)24)21-7-18-11-14(21)19-17(20-15(11)25)34-6-8-1-3-9(4-2-8)22(26)27/h1-4,7,10,12-13,16,23-24H,5-6H2,(H,19,20,25)(H2,28,29,30)