2-(5-morpholin-4-ylsulfonyl-2-propoxy-phenyl)-9-(2-oxidanylnonan-3-yl)-3H-purin-6-one

Systemtic Name: 2-(5-morpholin-4-ylsulfonyl-2-propoxy-phenyl)-9-(2-oxidanylnonan-3-yl)-3H-purin-6-one Openeye Name: 9-[1-(1-hydroxyethyl)heptyl]-2-(5-morpholinosulfonyl-2-propoxy-phenyl)-3H-purin-6-one CAS Name: 9-(2-hydroxynonan-3-yl)-2-[5-(4-morpholinylsulfonyl)-2-propoxyphenyl]-3H-purin-6-one IUPAC Name: 9-(2-hydroxynonan-3-yl)-2-(5-morpholin-4-ylsulfonyl-2-propoxyphenyl)-3H-purin-6-one Traditional Name: 9-[1-(1-hydroxyethyl)heptyl]-2-(5-morpholinosulfonyl-2-propoxy-phenyl)-3H-purin-6-one Formula: C27H39N5O6S MolecularWeight: 561.69346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39N5O6S/c1-4-6-7-8-9-22(19(3)33)32-18-28-24-26(32)29-25(30-27(24)34)21-17-20(10-11-23(21)38-14-5-2)39(35,36)31-12-15-37-16-13-31/h10-11,17-19,22,33H,4-9,12-16H2,1-3H3,(H,29,30,34)