N-[(2S,3R,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(2S,3R,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2S,3R,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(2S,3R,4R,5R)-5-[6-(cyclopentylamino)-9-purinyl]-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2S,3R,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(2S,3R,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-4-hydroxy-2-methylol-tetrahydrofuran-3-yl]-piperonylamide Formula: C23H26N6O6 MolecularWeight: 482.48914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)NC(=O)C5=CC6=C(C=C5)OCO6)O

Isomeric SMILES

C1CCC(C1)NC2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@H]([C@H](O4)CO)NC(=O)C5=CC6=C(C=C5)OCO6)O

InChI

InChI=1S/C23H26N6O6/c30-8-16-17(28-22(32)12-5-6-14-15(7-12)34-11-33-14)19(31)23(35-16)29-10-26-18-20(24-9-25-21(18)29)27-13-3-1-2-4-13/h5-7,9-10,13,16-17,19,23,30-31H,1-4,8,11H2,(H,28,32)(H,24,25,27)/t16-,17+,19-,23-/m1/s1