4-[2,2-dimethyl-1-[3-(7H-purin-6-ylsulfonylmethyl)phenyl]propyl]-5-oxidanyl-2,2-dipropyl-furan-3-one

Systemtic Name: 4-[2,2-dimethyl-1-[3-(7H-purin-6-ylsulfonylmethyl)phenyl]propyl]-5-oxidanyl-2,2-dipropyl-furan-3-one Openeye Name: 4-[2,2-dimethyl-1-[3-(7H-purin-6-ylsulfonylmethyl)phenyl]propyl]-5-hydroxy-2,2-dipropyl-furan-3-one CAS Name: 4-[2,2-dimethyl-1-[3-(7H-purin-6-ylsulfonylmethyl)phenyl]propyl]-5-hydroxy-2,2-dipropyl-3-furanone IUPAC Name: 4-[2,2-dimethyl-1-[3-(7H-purin-6-ylsulfonylmethyl)phenyl]propyl]-5-hydroxy-2,2-dipropylfuran-3-one Traditional Name: 4-[2,2-dimethyl-1-[3-(7H-purin-6-ylsulfonylmethyl)phenyl]propyl]-5-hydroxy-2,2-dipropyl-furan-3-one Formula: C27H34N4O5S MolecularWeight: 526.64766

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(=O)C(=C(O1)O)C(C2=CC=CC(=C2)CS(=O)(=O)C3=NC=NC4=C3NC=N4)C(C)(C)C)CCC

Isomeric SMILES

CCCC1(C(=O)C(=C(O1)O)C(C2=CC=CC(=C2)CS(=O)(=O)C3=NC=NC4=C3NC=N4)C(C)(C)C)CCC

InChI

InChI=1S/C27H34N4O5S/c1-6-11-27(12-7-2)22(32)19(25(33)36-27)20(26(3,4)5)18-10-8-9-17(13-18)14-37(34,35)24-21-23(29-15-28-21)30-16-31-24/h8-10,13,15-16,20,33H,6-7,11-12,14H2,1-5H3,(H,28,29,30,31)