9-[8-(4-morpholin-4-ylsulfonylphenyl)-2-oxidanyl-octan-3-yl]-2-(5-morpholin-4-ylsulfonyl-2-propoxy-phenyl)-3H-purin-6-one

Systemtic Name: 9-[8-(4-morpholin-4-ylsulfonylphenyl)-2-oxidanyl-octan-3-yl]-2-(5-morpholin-4-ylsulfonyl-2-propoxy-phenyl)-3H-purin-6-one Openeye Name: 9-[1-(1-hydroxyethyl)-6-(4-morpholinosulfonylphenyl)hexyl]-2-(5-morpholinosulfonyl-2-propoxy-phenyl)-3H-purin-6-one CAS Name: 9-[2-hydroxy-8-[4-(4-morpholinylsulfonyl)phenyl]octan-3-yl]-2-[5-(4-morpholinylsulfonyl)-2-propoxyphenyl]-3H-purin-6-one IUPAC Name: 9-[2-hydroxy-8-(4-morpholin-4-ylsulfonylphenyl)octan-3-yl]-2-(5-morpholin-4-ylsulfonyl-2-propoxyphenyl)-3H-purin-6-one Traditional Name: 9-[1-(1-hydroxyethyl)-6-(4-morpholinosulfonylphenyl)hexyl]-2-(5-morpholinosulfonyl-2-propoxy-phenyl)-3H-purin-6-one Formula: C36H48N6O9S2 MolecularWeight: 772.93112

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C3=NC(=O)C4=C(N3)N(C=N4)C(CCCCCC5=CC=C(C=C5)S(=O)(=O)N6CCOCC6)C(C)O

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C3=NC(=O)C4=C(N3)N(C=N4)C(CCCCCC5=CC=C(C=C5)S(=O)(=O)N6CCOCC6)C(C)O

InChI

InChI=1S/C36H48N6O9S2/c1-3-19-51-32-14-13-29(53(47,48)41-17-22-50-23-18-41)24-30(32)34-38-35-33(36(44)39-34)37-25-42(35)31(26(2)43)8-6-4-5-7-27-9-11-28(12-10-27)52(45,46)40-15-20-49-21-16-40/h9-14,24-26,31,43H,3-8,15-23H2,1-2H3,(H,38,39,44)