[(2R,3R)-3-(6-benzamidopurin-9-yl)-2-oxidanyl-nonyl] methanesulfonate

Systemtic Name: [(2R,3R)-3-(6-benzamidopurin-9-yl)-2-oxidanyl-nonyl] methanesulfonate Openeye Name: [(2R,3R)-3-(6-benzamidopurin-9-yl)-2-hydroxy-nonyl] methanesulfonate CAS Name: methanesulfonic acid [(2R,3R)-3-(6-benzamido-9-purinyl)-2-hydroxynonyl] ester IUPAC Name: [(2R,3R)-3-(6-benzamidopurin-9-yl)-2-hydroxynonyl] methanesulfonate Traditional Name: methanesulfonic acid [(2R,3R)-3-(6-benzamidopurin-9-yl)-2-hydroxy-nonyl] ester Formula: C22H29N5O5S MolecularWeight: 475.56116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(COS(=O)(=O)C)O)N1C=NC2=C1N=CN=C2NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCC[C@H]([C@H](COS(=O)(=O)C)O)N1C=NC2=C1N=CN=C2NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H29N5O5S/c1-3-4-5-9-12-17(18(28)13-32-33(2,30)31)27-15-25-19-20(23-14-24-21(19)27)26-22(29)16-10-7-6-8-11-16/h6-8,10-11,14-15,17-18,28H,3-5,9,12-13H2,1-2H3,(H,23,24,26,29)/t17-,18+/m1/s1