ethyl 1-[9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-[[(2R)-oxolan-2-yl]amino]purin-2-yl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-[[(2R)-oxolan-2-yl]amino]purin-2-yl]pyrazole-4-carboxylate Openeye Name: ethyl 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-carboxylate CAS Name: 1-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-[[(2R)-2-oxolanyl]amino]-2-purinyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 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-carboxylate Traditional Name: 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-carboxylic acid ethyl ester Formula: C20H25N7O7 MolecularWeight: 475.4552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1)C2=NC3=C(C(=N2)NC4CCCO4)N=CN3C5C(C(C(O5)CO)O)O

Isomeric SMILES

CCOC(=O)C1=CN(N=C1)C2=NC3=C(C(=N2)N[C@H]4CCCO4)N=CN3[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O

InChI

InChI=1S/C20H25N7O7/c1-2-32-19(31)10-6-22-27(7-10)20-24-16(23-12-4-3-5-33-12)13-17(25-20)26(9-21-13)18-15(30)14(29)11(8-28)34-18/h6-7,9,11-12,14-15,18,28-30H,2-5,8H2,1H3,(H,23,24,25)/t11-,12-,14-,15-,18-/m1/s1