N-[[5-(6-azanyl-2-oct-1-ynyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[[5-(6-azanyl-2-oct-1-ynyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-4-methyl-benzenesulfonamide Openeye Name: N-[[5-(6-amino-2-oct-1-ynyl-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-4-methyl-benzenesulfonamide CAS Name: N-[[5-(6-amino-2-oct-1-ynyl-9-purinyl)-3,4-dihydroxy-2-oxolanyl]methyl]-4-methylbenzenesulfonamide IUPAC Name: N-[[5-(6-amino-2-oct-1-ynylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-4-methylbenzenesulfonamide Traditional Name: N-[[5-(6-amino-2-oct-1-ynyl-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-4-methyl-benzenesulfonamide Formula: C25H32N6O5S MolecularWeight: 528.62378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CNS(=O)(=O)C4=CC=C(C=C4)C)O)O

Isomeric SMILES

CCCCCCC#CC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CNS(=O)(=O)C4=CC=C(C=C4)C)O)O

InChI

InChI=1S/C25H32N6O5S/c1-3-4-5-6-7-8-9-19-29-23(26)20-24(30-19)31(15-27-20)25-22(33)21(32)18(36-25)14-28-37(34,35)17-12-10-16(2)11-13-17/h10-13,15,18,21-22,25,28,32-33H,3-7,14H2,1-2H3,(H2,26,29,30)