N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-oxolan-2-yl]-8-[3-[[4-[(4-dimethylaminophenyl)diazenyl]phenyl]sulfonylamino]propylamino]purin-6-yl]benzamide

Systemtic Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-oxolan-2-yl]-8-[3-[[4-[(4-dimethylaminophenyl)diazenyl]phenyl]sulfonylamino]propylamino]purin-6-yl]benzamide Openeye Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[2-cyanoethoxy-(diisopropylamino)phosphanyl]oxy-tetrahydrofuran-2-yl]-8-[3-[[4-(4-dimethylaminophenyl)azophenyl]sulfonylamino]propylamino]purin-6-yl]benzamide CAS Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphino]oxy-2-oxolanyl]-8-[3-[[4-(4-dimethylaminophenyl)azophenyl]sulfonylamino]propylamino]-6-purinyl]benzamide IUPAC Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-8-[3-[[4-[(4-dimethylaminophenyl)diazenyl]phenyl]sulfonylamino]propylamino]purin-6-yl]benzamide Traditional Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[2-cyanoethoxy-(diisopropylamino)phosphino]oxy-tetrahydrofuran-2-yl]-8-[3-[[4-(4-dimethylaminophenyl)azophenyl]sulfonylamino]propylamino]purin-6-yl]benzamide Formula: C64H73N12O9PS MolecularWeight: 1217.378181

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)P(OCCC#N)OC1CC(OC1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C6=C(C(=NC=N6)NC(=O)C7=CC=CC=C7)N=C5NCCCNS(=O)(=O)C8=CC=C(C=C8)N=NC9=CC=C(C=C9)N(C)C

Isomeric SMILES

CC(C)N(C(C)C)P(OCCC#N)O[C@H]1C[C@@H](O[C@@H]1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C6=C(C(=NC=N6)NC(=O)C7=CC=CC=C7)N=C5NCCCNS(=O)(=O)C8=CC=C(C=C8)N=NC9=CC=C(C=C9)N(C)C

InChI

InChI=1S/C64H73N12O9PS/c1-44(2)76(45(3)4)86(83-40-15-37-65)85-56-41-58(84-57(56)42-82-64(47-19-13-10-14-20-47,48-21-31-53(80-7)32-22-48)49-23-33-54(81-8)34-24-49)75-61-59(60(67-43-68-61)71-62(77)46-17-11-9-12-18-46)70-63(75)66-38-16-39-69-87(78,79)55-35-27-51(28-36-55)73-72-50-25-29-52(30-26-50)74(5)6/h9-14,17-36,43-45,56-58,69H,15-16,38-42H2,1-8H3,(H,66,70)(H,67,68,71,77)/t56-,57+,58+,86?/m0/s1