2-[2-(2-chloroethyl)-1,2,3,4-tetrazol-5-yl]-5-[6-(2,2-diphenylethylamino)-2-(2-piperidin-1-ylethylamino)purin-9-yl]oxolane-3,4-diol; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-[2-(2-chloroethyl)-1,2,3,4-tetrazol-5-yl]-5-[6-(2,2-diphenylethylamino)-2-(2-piperidin-1-ylethylamino)purin-9-yl]oxolane-3,4-diol; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-[2-(2-chloroethyl)tetrazol-5-yl]-5-[6-(2,2-diphenylethylamino)-2-[2-(1-piperidyl)ethylamino]purin-9-yl]tetrahydrofuran-3,4-diol; 2,2,2-trifluoroacetic acid CAS Name: 2-[2-(2-chloroethyl)-5-tetrazolyl]-5-[6-(2,2-diphenylethylamino)-2-[2-(1-piperidinyl)ethylamino]-9-purinyl]oxolane-3,4-diol; 2,2,2-trifluoroacetic acid IUPAC Name: 2-[2-(2-chloroethyl)tetrazol-5-yl]-5-[6-(2,2-diphenylethylamino)-2-(2-piperidin-1-ylethylamino)purin-9-yl]oxolane-3,4-diol; 2,2,2-trifluoroacetic acid Traditional Name: 2-[2-(2-chloroethyl)tetrazol-5-yl]-5-[6-(2,2-diphenylethylamino)-2-(2-piperidinoethylamino)purin-9-yl]tetrahydrofuran-3,4-diol; 2,2,2-trifluoroacetic acid Formula: C37H42ClF6N11O7 MolecularWeight: 902.242299

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC2=NC3=C(C(=N2)NCC(C4=CC=CC=C4)C5=CC=CC=C5)N=CN3C6C(C(C(O6)C7=NN(N=N7)CCCl)O)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CCN(CC1)CCNC2=NC3=C(C(=N2)NCC(C4=CC=CC=C4)C5=CC=CC=C5)N=CN3C6C(C(C(O6)C7=NN(N=N7)CCCl)O)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C33H40ClN11O3.2C2HF3O2/c34-14-18-45-41-30(40-42-45)28-26(46)27(47)32(48-28)44-21-37-25-29(38-33(39-31(25)44)35-15-19-43-16-8-3-9-17-43)36-20-24(22-10-4-1-5-11-22)23-12-6-2-7-13-23;2*3-2(4,5)1(6)7/h1-2,4-7,10-13,21,24,26-28,32,46-47H,3,8-9,14-20H2,(H2,35,36,38,39);2*(H,6,7)