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

Systemtic Name: bis[[3,4-bis(oxidanyl)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl] (4-nitrophenyl) phosphate Openeye Name: bis[[3,4-dihydroxy-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl] (4-nitrophenyl) phosphate CAS Name: phosphoric acid bis[[3,4-dihydroxy-5-(6-sulfanylidene-3H-purin-9-yl)-2-oxolanyl]methyl] (4-nitrophenyl) ester IUPAC Name: bis[[3,4-dihydroxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl] (4-nitrophenyl) phosphate Traditional Name: phosphoric acid bis[[3,4-dihydroxy-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl] (4-nitrophenyl) ester Formula: C26H26N9O12PS2 MolecularWeight: 751.641501

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(OCC2C(C(C(O2)N3C=NC4=C3NC=NC4=S)O)O)OCC5C(C(C(O5)N6C=NC7=C6NC=NC7=S)O)O

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(OCC2C(C(C(O2)N3C=NC4=C3NC=NC4=S)O)O)OCC5C(C(C(O5)N6C=NC7=C6NC=NC7=S)O)O

InChI

InChI=1S/C26H26N9O12PS2/c36-17-13(45-25(19(17)38)33-9-31-15-21(33)27-7-29-23(15)49)5-43-48(42,47-12-3-1-11(2-4-12)35(40)41)44-6-14-18(37)20(39)26(46-14)34-10-32-16-22(34)28-8-30-24(16)50/h1-4,7-10,13-14,17-20,25-26,36-39H,5-6H2,(H,27,29,49)(H,28,30,50)