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

Systemtic Name: 3-[2-[5-morpholin-4-ylsulfonyl-2-(2-propoxyphenyl)phenyl]-6-oxidanylidene-3H-purin-9-yl]nonan-2-yl methanesulfonate Openeye Name: [1-methyl-2-[2-[5-morpholinosulfonyl-2-(2-propoxyphenyl)phenyl]-6-oxo-3H-purin-9-yl]octyl] methanesulfonate CAS Name: methanesulfonic acid 3-[2-[5-(4-morpholinylsulfonyl)-2-(2-propoxyphenyl)phenyl]-6-oxo-3H-purin-9-yl]nonan-2-yl ester IUPAC Name: 3-[2-[5-morpholin-4-ylsulfonyl-2-(2-propoxyphenyl)phenyl]-6-oxo-3H-purin-9-yl]nonan-2-yl methanesulfonate Traditional Name: methanesulfonic acid [2-[6-keto-2-[5-morpholinosulfonyl-2-(2-propoxyphenyl)phenyl]-3H-purin-9-yl]-1-methyl-octyl] ester Formula: C34H45N5O8S2 MolecularWeight: 715.8798

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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)C5=CC=CC=C5OCCC

Isomeric SMILES

CCCCCCC(C(C)OS(=O)(=O)C)N1C=NC2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)C5=CC=CC=C5OCCC

InChI

InChI=1S/C34H45N5O8S2/c1-5-7-8-9-13-29(24(3)47-48(4,41)42)39-23-35-31-33(39)36-32(37-34(31)40)28-22-25(49(43,44)38-17-20-45-21-18-38)15-16-26(28)27-12-10-11-14-30(27)46-19-6-2/h10-12,14-16,22-24,29H,5-9,13,17-21H2,1-4H3,(H,36,37,40)