N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[(4-nitrophenoxy)-oxidanidyl-phosphinothioyl]oxy-oxolan-2-yl]purin-6-yl]benzamide; triethylazanium

Systemtic Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[(4-nitrophenoxy)-oxidanidyl-phosphinothioyl]oxy-oxolan-2-yl]purin-6-yl]benzamide; triethylazanium Openeye Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[(4-nitrophenoxy)-oxido-phosphinothioyl]oxy-tetrahydrofuran-2-yl]purin-6-yl]benzamide; triethylammonium CAS Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[(4-nitrophenoxy)-oxidophosphinothioyl]oxy-2-oxolanyl]-6-purinyl]benzamide; triethylammonium IUPAC Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[(4-nitrophenoxy)-oxidophosphinothioyl]oxyoxolan-2-yl]purin-6-yl]benzamide; triethylazanium Traditional Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[(4-nitrophenoxy)-oxido-thiophosphoryl]oxy-tetrahydrofuran-2-yl]purin-6-yl]benzamide; triethylammonium Formula: C50H54N7O10PS MolecularWeight: 976.043421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC.COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(CC(O4)N5C=NC6=C5N=CN=C6NC(=O)C7=CC=CC=C7)OP(=S)([O-])OC8=CC=C(C=C8)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)CC.COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H](C[C@@H](O4)N5C=NC6=C5N=CN=C6NC(=O)C7=CC=CC=C7)OP(=S)([O-])OC8=CC=C(C=C8)[N+](=O)[O-]

InChI

InChI=1S/C44H39N6O10PS.C6H15N/c1-55-34-19-13-31(14-20-34)44(30-11-7-4-8-12-30,32-15-21-35(56-2)22-16-32)57-26-38-37(60-61(54,62)59-36-23-17-33(18-24-36)50(52)53)25-39(58-38)49-28-47-40-41(45-27-46-42(40)49)48-43(51)29-9-5-3-6-10-29;1-4-7(5-2)6-3/h3-24,27-28,37-39H,25-26H2,1-2H3,(H,54,62)(H,45,46,48,51);4-6H2,1-3H3/t37-,38+,39+,61?;/m0./s1