4-[[[1-[9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-[[(2R)-oxolan-2-yl]amino]purin-2-yl]pyrazol-4-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[1-[9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-[[(2R)-oxolan-2-yl]amino]purin-2-yl]pyrazol-4-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[1-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-[[(2R)-tetrahydrofuran-2-yl]amino]purin-2-yl]pyrazole-4-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[[1-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-[[(2R)-2-oxolanyl]amino]-2-purinyl]-4-pyrazolyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[1-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[[(2R)-oxolan-2-yl]amino]purin-2-yl]pyrazole-4-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[1-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-6-[[(2R)-tetrahydrofuran-2-yl]amino]purin-2-yl]pyrazole-4-carbonyl]amino]methyl]benzoic acid Formula: C26H28N8O8 MolecularWeight: 580.54932

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)NC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)N5C=C(C=N5)C(=O)NCC6=CC=C(C=C6)C(=O)O

Isomeric SMILES

C1C[C@@H](OC1)NC2=NC(=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N5C=C(C=N5)C(=O)NCC6=CC=C(C=C6)C(=O)O

InChI

InChI=1S/C26H28N8O8/c35-11-16-19(36)20(37)24(42-16)33-12-28-18-21(30-17-2-1-7-41-17)31-26(32-22(18)33)34-10-15(9-29-34)23(38)27-8-13-3-5-14(6-4-13)25(39)40/h3-6,9-10,12,16-17,19-20,24,35-37H,1-2,7-8,11H2,(H,27,38)(H,39,40)(H,30,31,32)/t16-,17-,19-,20-,24-/m1/s1