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

Systemtic Name: N-[[5-(6-azanyl-2-oct-1-ynyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]methanesulfonamide Openeye Name: N-[[5-(6-amino-2-oct-1-ynyl-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]methanesulfonamide CAS Name: N-[[5-(6-amino-2-oct-1-ynyl-9-purinyl)-3,4-dihydroxy-2-oxolanyl]methyl]methanesulfonamide IUPAC Name: N-[[5-(6-amino-2-oct-1-ynylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]methanesulfonamide Traditional Name: N-[[5-(6-amino-2-oct-1-ynyl-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]methanesulfonamide Formula: C19H28N6O5S MolecularWeight: 452.52782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N6O5S/c1-3-4-5-6-7-8-9-13-23-17(20)14-18(24-13)25(11-21-14)19-16(27)15(26)12(30-19)10-22-31(2,28)29/h11-12,15-16,19,22,26-27H,3-7,10H2,1-2H3,(H2,20,23,24)