2-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]-4-pentyl-isoindole-1,3-dione

Systemtic Name: 2-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]-4-pentyl-isoindole-1,3-dione Openeye Name: 2-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]-4-pentyl-isoindoline-1,3-dione CAS Name: 2-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy]-4-pentylisoindole-1,3-dione IUPAC Name: 2-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-4-pentylisoindole-1,3-dione Traditional Name: 2-[(5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methoxy]-4-amyl-isoindoline-1,3-quinone Formula: C23H26N6O6 MolecularWeight: 482.48914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=CC2=C1C(=O)N(C2=O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O

Isomeric SMILES

CCCCCC1=CC=CC2=C1C(=O)N(C2=O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O

InChI

InChI=1S/C23H26N6O6/c1-2-3-4-6-12-7-5-8-13-15(12)22(33)29(21(13)32)34-9-14-17(30)18(31)23(35-14)28-11-27-16-19(24)25-10-26-20(16)28/h5,7-8,10-11,14,17-18,23,30-31H,2-4,6,9H2,1H3,(H2,24,25,26)