N-ethyl-1-[9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-(quinolin-2-ylamino)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-(quinolin-2-ylamino)purin-2-yl]pyrazole-4-carboxamide Openeye Name: 1-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-(2-quinolylamino)purin-2-yl]-N-ethyl-pyrazole-4-carboxamide CAS Name: 1-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-(2-quinolinylamino)-2-purinyl]-N-ethyl-4-pyrazolecarboxamide IUPAC Name: 1-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(quinolin-2-ylamino)purin-2-yl]-N-ethylpyrazole-4-carboxamide Traditional Name: 1-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-6-(2-quinolylamino)purin-2-yl]-N-ethyl-pyrazole-4-carboxamide Formula: C25H25N9O5 MolecularWeight: 531.5233

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CN(N=C1)C2=NC3=C(C(=N2)NC4=NC5=CC=CC=C5C=C4)N=CN3C6C(C(C(O6)CO)O)O

Isomeric SMILES

CCNC(=O)C1=CN(N=C1)C2=NC3=C(C(=N2)NC4=NC5=CC=CC=C5C=C4)N=CN3[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O

InChI

InChI=1S/C25H25N9O5/c1-2-26-23(38)14-9-28-34(10-14)25-31-21(30-17-8-7-13-5-3-4-6-15(13)29-17)18-22(32-25)33(12-27-18)24-20(37)19(36)16(11-35)39-24/h3-10,12,16,19-20,24,35-37H,2,11H2,1H3,(H,26,38)(H,29,30,31,32)/t16-,19-,20-,24-/m1/s1