(2R,3R,4S)-2-[6-(2,2-diphenylethylamino)-2-[(1-oxidanyl-3-phenyl-propan-2-yl)amino]purin-9-yl]-5-(3-ethyl-1,2-oxazol-5-yl)oxolane-3,4-diol

Systemtic Name: (2R,3R,4S)-2-[6-(2,2-diphenylethylamino)-2-[(1-oxidanyl-3-phenyl-propan-2-yl)amino]purin-9-yl]-5-(3-ethyl-1,2-oxazol-5-yl)oxolane-3,4-diol Openeye Name: (2R,3R,4S)-2-[2-[(1-benzyl-2-hydroxy-ethyl)amino]-6-(2,2-diphenylethylamino)purin-9-yl]-5-(3-ethylisoxazol-5-yl)tetrahydrofuran-3,4-diol CAS Name: (2R,3R,4S)-2-[6-(2,2-diphenylethylamino)-2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-9-purinyl]-5-(3-ethyl-5-isoxazolyl)oxolane-3,4-diol IUPAC Name: (2R,3R,4S)-2-[6-(2,2-diphenylethylamino)-2-[(1-hydroxy-3-phenylpropan-2-yl)amino]purin-9-yl]-5-(3-ethyl-1,2-oxazol-5-yl)oxolane-3,4-diol Traditional Name: (2R,3R,4S)-2-[2-[(1-benzyl-2-hydroxy-ethyl)amino]-6-(2,2-diphenylethylamino)purin-9-yl]-5-(3-ethylisoxazol-5-yl)tetrahydrofuran-3,4-diol Formula: C37H39N7O5 MolecularWeight: 661.74946

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1)C2C(C(C(O2)N3C=NC4=C3N=C(N=C4NCC(C5=CC=CC=C5)C6=CC=CC=C6)NC(CC7=CC=CC=C7)CO)O)O

Isomeric SMILES

CCC1=NOC(=C1)C2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=C(N=C4NCC(C5=CC=CC=C5)C6=CC=CC=C6)NC(CC7=CC=CC=C7)CO)O)O

InChI

InChI=1S/C37H39N7O5/c1-2-26-19-29(49-43-26)33-31(46)32(47)36(48-33)44-22-39-30-34(38-20-28(24-14-8-4-9-15-24)25-16-10-5-11-17-25)41-37(42-35(30)44)40-27(21-45)18-23-12-6-3-7-13-23/h3-17,19,22,27-28,31-33,36,45-47H,2,18,20-21H2,1H3,(H2,38,40,41,42)/t27?,31-,32+,33?,36+/m0/s1