3-[2-(5-morpholin-4-ylsulfonyl-2-propoxy-phenyl)-6-oxidanylidene-3H-purin-9-yl]nonan-2-yl methanesulfonate

Systemtic Name: 3-[2-(5-morpholin-4-ylsulfonyl-2-propoxy-phenyl)-6-oxidanylidene-3H-purin-9-yl]nonan-2-yl methanesulfonate Openeye Name: [1-methyl-2-[2-(5-morpholinosulfonyl-2-propoxy-phenyl)-6-oxo-3H-purin-9-yl]octyl] methanesulfonate CAS Name: methanesulfonic acid 3-[2-[5-(4-morpholinylsulfonyl)-2-propoxyphenyl]-6-oxo-3H-purin-9-yl]nonan-2-yl ester IUPAC Name: 3-[2-(5-morpholin-4-ylsulfonyl-2-propoxyphenyl)-6-oxo-3H-purin-9-yl]nonan-2-yl methanesulfonate Traditional Name: methanesulfonic acid [2-[6-keto-2-(5-morpholinosulfonyl-2-propoxy-phenyl)-3H-purin-9-yl]-1-methyl-octyl] ester Formula: C28H41N5O8S2 MolecularWeight: 639.78384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C)OS(=O)(=O)C)N1C=NC2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OCCC

Isomeric SMILES

CCCCCCC(C(C)OS(=O)(=O)C)N1C=NC2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OCCC

InChI

InChI=1S/C28H41N5O8S2/c1-5-7-8-9-10-23(20(3)41-42(4,35)36)33-19-29-25-27(33)30-26(31-28(25)34)22-18-21(11-12-24(22)40-15-6-2)43(37,38)32-13-16-39-17-14-32/h11-12,18-20,23H,5-10,13-17H2,1-4H3,(H,30,31,34)