N,N-diethyl-3-[6-oxidanylidene-9-(2-oxidanylnonan-3-yl)-3H-purin-2-yl]-4-propoxy-benzenesulfonamide

Systemtic Name: N,N-diethyl-3-[6-oxidanylidene-9-(2-oxidanylnonan-3-yl)-3H-purin-2-yl]-4-propoxy-benzenesulfonamide Openeye Name: N,N-diethyl-3-[9-[1-(1-hydroxyethyl)heptyl]-6-oxo-3H-purin-2-yl]-4-propoxy-benzenesulfonamide CAS Name: N,N-diethyl-3-[9-(2-hydroxynonan-3-yl)-6-oxo-3H-purin-2-yl]-4-propoxybenzenesulfonamide IUPAC Name: N,N-diethyl-3-[9-(2-hydroxynonan-3-yl)-6-oxo-3H-purin-2-yl]-4-propoxybenzenesulfonamide Traditional Name: N,N-diethyl-3-[9-[1-(1-hydroxyethyl)heptyl]-6-keto-3H-purin-2-yl]-4-propoxy-benzenesulfonamide Formula: C27H41N5O5S MolecularWeight: 547.70994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C)O)N1C=NC2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N(CC)CC)OCCC

Isomeric SMILES

CCCCCCC(C(C)O)N1C=NC2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N(CC)CC)OCCC

InChI

InChI=1S/C27H41N5O5S/c1-6-10-11-12-13-22(19(5)33)32-18-28-24-26(32)29-25(30-27(24)34)21-17-20(14-15-23(21)37-16-7-2)38(35,36)31(8-3)9-4/h14-15,17-19,22,33H,6-13,16H2,1-5H3,(H,29,30,34)