3-[2-[5-(diethylsulfamoyl)-2-propoxy-phenyl]-6-oxidanylidene-3H-purin-5-yl]nonan-2-yl ethanoate

Systemtic Name: 3-[2-[5-(diethylsulfamoyl)-2-propoxy-phenyl]-6-oxidanylidene-3H-purin-5-yl]nonan-2-yl ethanoate Openeye Name: [2-[2-[5-(diethylsulfamoyl)-2-propoxy-phenyl]-6-oxo-3H-purin-5-yl]-1-methyl-octyl] acetate CAS Name: acetic acid 3-[2-[5-(diethylsulfamoyl)-2-propoxyphenyl]-6-oxo-3H-purin-5-yl]nonan-2-yl ester IUPAC Name: 3-[2-[5-(diethylsulfamoyl)-2-propoxyphenyl]-6-oxo-3H-purin-5-yl]nonan-2-yl acetate Traditional Name: acetic acid [2-[2-[5-(diethylsulfamoyl)-2-propoxy-phenyl]-6-keto-3H-purin-5-yl]-1-methyl-octyl] ester Formula: C29H43N5O6S MolecularWeight: 589.74662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C)OC(=O)C)C12C(=NC=N1)NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N(CC)CC)OCCC

Isomeric SMILES

CCCCCCC(C(C)OC(=O)C)C12C(=NC=N1)NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N(CC)CC)OCCC

InChI

InChI=1S/C29H43N5O6S/c1-7-11-12-13-14-24(20(5)40-21(6)35)29-27(30-19-31-29)32-26(33-28(29)36)23-18-22(15-16-25(23)39-17-8-2)41(37,38)34(9-3)10-4/h15-16,18-20,24H,7-14,17H2,1-6H3,(H,30,31,32,33,36)