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-(9H-fluoren-9-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-(9H-fluoren-9-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-(9H-fluoren-9-ylmethylamino)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-(9H-fluoren-9-ylmethylamino)-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-(9H-fluoren-9-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-(9H-fluoren-9-ylmethylamino)purin-2-yl]pyrrolidin-3-yl]-3-[(3R)-pyrrolidin-3-yl]urea; 2,2,2-trifluoroacetic acid Formula: C37H42F3N13O6 MolecularWeight: 821.80809

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Descriptors Computed from Structure

Canonical SMILES:

CCN1N=C(N=N1)C2C(C(C(O2)N3C=NC4=C3N=C(N=C4NCC5C6=CC=CC=C6C7=CC=CC=C57)N8CCC(C8)NC(=O)NC9CCNC9)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=C4NCC5C6=CC=CC=C6C7=CC=CC=C57)N8CC[C@H](C8)NC(=O)N[C@@H]9CCNC9)O)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C35H41N13O4.C2HF3O2/c1-2-48-44-31(43-45-48)29-27(49)28(50)33(52-29)47-18-38-26-30(37-16-25-23-9-5-3-7-21(23)22-8-4-6-10-24(22)25)41-34(42-32(26)47)46-14-12-20(17-46)40-35(51)39-19-11-13-36-15-19;3-2(4,5)1(6)7/h3-10,18-20,25,27-29,33,36,49-50H,2,11-17H2,1H3,(H,37,41,42)(H2,39,40,51);(H,6,7)/t19-,20-,27+,28-,29+,33-;/m1./s1