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

Systemtic Name: 3-[2-(5-morpholin-4-ylsulfonyl-2-propoxy-phenyl)-6-oxidanylidene-3H-purin-9-yl]nonan-2-yl ethanoate Openeye Name: [1-methyl-2-[2-(5-morpholinosulfonyl-2-propoxy-phenyl)-6-oxo-3H-purin-9-yl]octyl] acetate CAS Name: acetic 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 acetate Traditional Name: acetic acid [2-[6-keto-2-(5-morpholinosulfonyl-2-propoxy-phenyl)-3H-purin-9-yl]-1-methyl-octyl] ester Formula: C29H41N5O7S MolecularWeight: 603.73014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H41N5O7S/c1-5-7-8-9-10-24(20(3)41-21(4)35)34-19-30-26-28(34)31-27(32-29(26)36)23-18-22(11-12-25(23)40-15-6-2)42(37,38)33-13-16-39-17-14-33/h11-12,18-20,24H,5-10,13-17H2,1-4H3,(H,31,32,36)