1-[(3R)-1-[9-[(2R,3R,4S,5R)-5-(2-ethyl-1,2,3,4-tetrazol-5-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-(naphthalen-1-ylmethylamino)purin-2-yl]pyrrolidin-3-yl]-3-[(3R)-pyrrolidin-3-yl]urea; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 1-[(3R)-1-[9-[(2R,3R,4S,5R)-5-(2-ethyl-1,2,3,4-tetrazol-5-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-(naphthalen-1-ylmethylamino)purin-2-yl]pyrrolidin-3-yl]-3-[(3R)-pyrrolidin-3-yl]urea; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 1-[(3R)-1-[9-[(2R,3R,4S,5R)-5-(2-ethyltetrazol-5-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-6-(1-naphthylmethylamino)purin-2-yl]pyrrolidin-3-yl]-3-[(3R)-pyrrolidin-3-yl]urea; 2,2,2-trifluoroacetic acid CAS Name: 1-[(3R)-1-[9-[(2R,3R,4S,5R)-5-(2-ethyl-5-tetrazolyl)-3,4-dihydroxy-2-oxolanyl]-6-(1-naphthalenylmethylamino)-2-purinyl]-3-pyrrolidinyl]-3-[(3R)-3-pyrrolidinyl]urea; 2,2,2-trifluoroacetic acid IUPAC Name: 1-[(3R)-1-[9-[(2R,3R,4S,5R)-5-(2-ethyltetrazol-5-yl)-3,4-dihydroxyoxolan-2-yl]-6-(naphthalen-1-ylmethylamino)purin-2-yl]pyrrolidin-3-yl]-3-[(3R)-pyrrolidin-3-yl]urea; 2,2,2-trifluoroacetic acid Traditional Name: 1-[(3R)-1-[9-[(2R,3R,4S,5R)-5-(2-ethyltetrazol-5-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-6-(1-naphthylmethylamino)purin-2-yl]pyrrolidin-3-yl]-3-[(3R)-pyrrolidin-3-yl]urea; 2,2,2-trifluoroacetic acid Formula: C34H40F3N13O6 MolecularWeight: 783.76011

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Descriptors Computed from Structure

Canonical SMILES:

CCN1N=C(N=N1)C2C(C(C(O2)N3C=NC4=C3N=C(N=C4NCC5=CC=CC6=CC=CC=C65)N7CCC(C7)NC(=O)NC8CCNC8)O)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CCN1N=C(N=N1)[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=C(N=C4NCC5=CC=CC6=CC=CC=C65)N7CC[C@H](C7)NC(=O)N[C@@H]8CCNC8)O)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C32H39N13O4.C2HF3O2/c1-2-45-41-28(40-42-45)26-24(46)25(47)30(49-26)44-17-35-23-27(34-14-19-8-5-7-18-6-3-4-9-22(18)19)38-31(39-29(23)44)43-13-11-21(16-43)37-32(48)36-20-10-12-33-15-20;3-2(4,5)1(6)7/h3-9,17,20-21,24-26,30,33,46-47H,2,10-16H2,1H3,(H,34,38,39)(H2,36,37,48);(H,6,7)/t20-,21-,24+,25-,26+,30-;/m1./s1