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

Systemtic Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[(4-nitrophenoxy)-oxidanyl-phosphinothioyl]oxy-oxolan-2-yl]purin-6-yl]benzamide Openeye Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[hydroxy-(4-nitrophenoxy)phosphinothioyl]oxy-tetrahydrofuran-2-yl]purin-6-yl]benzamide CAS Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[hydroxy-(4-nitrophenoxy)phosphinothioyl]oxy-2-oxolanyl]-6-purinyl]benzamide IUPAC Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[hydroxy-(4-nitrophenoxy)phosphinothioyl]oxyoxolan-2-yl]purin-6-yl]benzamide Traditional Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[hydroxy-(4-nitrophenoxy)thiophosphoryl]oxy-tetrahydrofuran-2-yl]purin-6-yl]benzamide Formula: C44H39N6O10PS MolecularWeight: 874.853421

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Descriptors Computed from Structure

Canonical SMILES:

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

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/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/h3-24,27-28,37-39H,25-26H2,1-2H3,(H,54,62)(H,45,46,48,51)/t37-,38+,39+,61?/m0/s1