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

Systemtic Name: 1-[(3R)-1-[6-[2,2-bis(4-methoxyphenyl)ethylamino]-9-[(2R,3R,4S,5R)-5-(2-ethyl-1,2,3,4-tetrazol-5-yl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-2-yl]pyrrolidin-3-yl]-3-[(3R)-pyrrolidin-3-yl]urea; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 1-[(3R)-1-[6-[2,2-bis(4-methoxyphenyl)ethylamino]-9-[(2R,3R,4S,5R)-5-(2-ethyltetrazol-5-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]purin-2-yl]pyrrolidin-3-yl]-3-[(3R)-pyrrolidin-3-yl]urea; 2,2,2-trifluoroacetic acid CAS Name: 1-[(3R)-1-[6-[2,2-bis(4-methoxyphenyl)ethylamino]-9-[(2R,3R,4S,5R)-5-(2-ethyl-5-tetrazolyl)-3,4-dihydroxy-2-oxolanyl]-2-purinyl]-3-pyrrolidinyl]-3-[(3R)-3-pyrrolidinyl]urea; 2,2,2-trifluoroacetic acid IUPAC Name: 1-[(3R)-1-[6-[2,2-bis(4-methoxyphenyl)ethylamino]-9-[(2R,3R,4S,5R)-5-(2-ethyltetrazol-5-yl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]pyrrolidin-3-yl]-3-[(3R)-pyrrolidin-3-yl]urea; 2,2,2-trifluoroacetic acid Traditional Name: 1-[(3R)-1-[6-[2,2-bis(4-methoxyphenyl)ethylamino]-9-[(2R,3R,4S,5R)-5-(2-ethyltetrazol-5-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]purin-2-yl]pyrrolidin-3-yl]-3-[(3R)-pyrrolidin-3-yl]urea; 2,2,2-trifluoroacetic acid Formula: C39H48F3N13O8 MolecularWeight: 883.87593

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Descriptors Computed from Structure

Canonical SMILES:

CCN1N=C(N=N1)C2C(C(C(O2)N3C=NC4=C3N=C(N=C4NCC(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)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=C4NCC(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)N7CC[C@H](C7)NC(=O)N[C@@H]8CCNC8)O)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C37H47N13O6.C2HF3O2/c1-4-50-46-33(45-47-50)31-29(51)30(52)35(56-31)49-20-40-28-32(39-18-27(21-5-9-25(54-2)10-6-21)22-7-11-26(55-3)12-8-22)43-36(44-34(28)49)48-16-14-24(19-48)42-37(53)41-23-13-15-38-17-23;3-2(4,5)1(6)7/h5-12,20,23-24,27,29-31,35,38,51-52H,4,13-19H2,1-3H3,(H,39,43,44)(H2,41,42,53);(H,6,7)/t23-,24-,29+,30-,31+,35-;/m1./s1