N-[3-[1-(6-oxidanyl-4-oxidanylidene-2-phenethyl-2-propyl-3H-pyran-5-yl)propyl]phenyl]-7H-purine-6-sulfonamide

Systemtic Name: N-[3-[1-(6-oxidanyl-4-oxidanylidene-2-phenethyl-2-propyl-3H-pyran-5-yl)propyl]phenyl]-7H-purine-6-sulfonamide Openeye Name: N-[3-[1-(6-hydroxy-4-oxo-2-phenethyl-2-propyl-3H-pyran-5-yl)propyl]phenyl]-7H-purine-6-sulfonamide CAS Name: N-[3-[1-(6-hydroxy-4-oxo-2-phenethyl-2-propyl-3H-pyran-5-yl)propyl]phenyl]-7H-purine-6-sulfonamide IUPAC Name: N-[3-[1-(6-hydroxy-4-oxo-2-phenethyl-2-propyl-3H-pyran-5-yl)propyl]phenyl]-7H-purine-6-sulfonamide Traditional Name: N-[3-[1-(6-hydroxy-4-keto-2-phenethyl-2-propyl-3H-pyran-5-yl)propyl]phenyl]-7H-purine-6-sulfonamide Formula: C30H33N5O5S MolecularWeight: 575.67852

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CC(=O)C(=C(O1)O)C(CC)C2=CC(=CC=C2)NS(=O)(=O)C3=NC=NC4=C3NC=N4)CCC5=CC=CC=C5

Isomeric SMILES

CCCC1(CC(=O)C(=C(O1)O)C(CC)C2=CC(=CC=C2)NS(=O)(=O)C3=NC=NC4=C3NC=N4)CCC5=CC=CC=C5

InChI

InChI=1S/C30H33N5O5S/c1-3-14-30(15-13-20-9-6-5-7-10-20)17-24(36)25(29(37)40-30)23(4-2)21-11-8-12-22(16-21)35-41(38,39)28-26-27(32-18-31-26)33-19-34-28/h5-12,16,18-19,23,35,37H,3-4,13-15,17H2,1-2H3,(H,31,32,33,34)