N-[[9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-(phenethylamino)purin-2-yl]methyl]benzenesulfonamide

Systemtic Name: N-[[9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-(phenethylamino)purin-2-yl]methyl]benzenesulfonamide Openeye Name: N-[[9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-(phenethylamino)purin-2-yl]methyl]benzenesulfonamide CAS Name: N-[[9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-(phenethylamino)-2-purinyl]methyl]benzenesulfonamide IUPAC Name: N-[[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(phenethylamino)purin-2-yl]methyl]benzenesulfonamide Traditional Name: N-[[9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-6-(phenethylamino)purin-2-yl]methyl]benzenesulfonamide Formula: C25H28N6O6S MolecularWeight: 540.59142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)CNS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)CNS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H28N6O6S/c32-14-18-21(33)22(34)25(37-18)31-15-27-20-23(26-12-11-16-7-3-1-4-8-16)29-19(30-24(20)31)13-28-38(35,36)17-9-5-2-6-10-17/h1-10,15,18,21-22,25,28,32-34H,11-14H2,(H,26,29,30)