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

Systemtic Name: 1-[9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-[[(2R)-oxolan-2-yl]amino]purin-2-yl]-N-propyl-pyrazole-4-carboxamide Openeye Name: 1-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-[[(2R)-tetrahydrofuran-2-yl]amino]purin-2-yl]-N-propyl-pyrazole-4-carboxamide CAS Name: 1-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-[[(2R)-2-oxolanyl]amino]-2-purinyl]-N-propyl-4-pyrazolecarboxamide IUPAC Name: 1-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[[(2R)-oxolan-2-yl]amino]purin-2-yl]-N-propylpyrazole-4-carboxamide 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]-N-propyl-pyrazole-4-carboxamide Formula: C21H28N8O6 MolecularWeight: 488.49702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCNC(=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/C21H28N8O6/c1-2-5-22-19(33)11-7-24-29(8-11)21-26-17(25-13-4-3-6-34-13)14-18(27-21)28(10-23-14)20-16(32)15(31)12(9-30)35-20/h7-8,10,12-13,15-16,20,30-32H,2-6,9H2,1H3,(H,22,33)(H,25,26,27)/t12-,13-,15-,16-,20-/m1/s1