N-[9-[(2R,4S,5R)-5-[[[4-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecakis(fluoranyl)decyl]phenyl]-bis(4-methoxyphenyl)methoxy]methyl]-4-oxidanyl-oxolan-2-yl]purin-6-yl]benzamide

Systemtic Name: N-[9-[(2R,4S,5R)-5-[[[4-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecakis(fluoranyl)decyl]phenyl]-bis(4-methoxyphenyl)methoxy]methyl]-4-oxidanyl-oxolan-2-yl]purin-6-yl]benzamide Openeye Name: N-[9-[(2R,4S,5R)-5-[[[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]-bis(4-methoxyphenyl)methoxy]methyl]-4-hydroxy-tetrahydrofuran-2-yl]purin-6-yl]benzamide CAS Name: N-[9-[(2R,4S,5R)-5-[[[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]-bis(4-methoxyphenyl)methoxy]methyl]-4-hydroxy-2-oxolanyl]-6-purinyl]benzamide IUPAC Name: N-[9-[(2R,4S,5R)-5-[[[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]-bis(4-methoxyphenyl)methoxy]methyl]-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide Traditional Name: N-[9-[(2R,4S,5R)-5-[[[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]-bis(4-methoxyphenyl)methoxy]methyl]-4-hydroxy-tetrahydrofuran-2-yl]purin-6-yl]benzamide Formula: C48H38F17N5O6 MolecularWeight: 1103.818074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C3=CC=C(C=C3)OC)OCC4C(CC(O4)N5C=NC6=C5N=CN=C6NC(=O)C7=CC=CC=C7)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(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)O

InChI

InChI=1S/C48H38F17N5O6/c1-73-31-16-12-29(13-17-31)41(30-14-18-32(74-2)19-15-30,75-23-34-33(71)22-35(76-34)70-25-68-36-37(66-24-67-38(36)70)69-39(72)27-6-4-3-5-7-27)28-10-8-26(9-11-28)20-21-40(49,50)42(51,52)43(53,54)44(55,56)45(57,58)46(59,60)47(61,62)48(63,64)65/h3-19,24-25,33-35,71H,20-23H2,1-2H3,(H,66,67,69,72)/t33-,34+,35+/m0/s1