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

Systemtic Name: N-ethyl-1-[9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-[(4-methylphenyl)amino]purin-2-yl]pyrazole-4-carboxamide Openeye Name: 1-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-(4-methylanilino)purin-2-yl]-N-ethyl-pyrazole-4-carboxamide CAS Name: 1-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-(4-methylanilino)-2-purinyl]-N-ethyl-4-pyrazolecarboxamide IUPAC Name: 1-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(4-methylanilino)purin-2-yl]-N-ethylpyrazole-4-carboxamide Traditional Name: 1-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-6-(p-toluidino)purin-2-yl]-N-ethyl-pyrazole-4-carboxamide Formula: C23H26N8O5 MolecularWeight: 494.50314

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CN(N=C1)C2=NC3=C(C(=N2)NC4=CC=C(C=C4)C)N=CN3C5C(C(C(O5)CO)O)O

Isomeric SMILES

CCNC(=O)C1=CN(N=C1)C2=NC3=C(C(=N2)NC4=CC=C(C=C4)C)N=CN3[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O

InChI

InChI=1S/C23H26N8O5/c1-3-24-21(35)13-8-26-31(9-13)23-28-19(27-14-6-4-12(2)5-7-14)16-20(29-23)30(11-25-16)22-18(34)17(33)15(10-32)36-22/h4-9,11,15,17-18,22,32-34H,3,10H2,1-2H3,(H,24,35)(H,27,28,29)/t15-,17-,18-,22-/m1/s1