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D1I

Summary
Name:3-(beta-D-glucopyranosyl)-6-pentylfuro[2,3-d]pyrimidin-2(3H)-one
Formula:C17 H24 N2 O7
Formal charge:0
Formula weight:368.382 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-(beta-D-glucopyranosyl)-6-pentylfuro[2,3-d]pyrimidin-2(3H)-one
OpenEye OEToolkits1.7.63-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-6-pentyl-furo[2,3-d]pyrimidin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1N=C3OC(=CC3=CN1C2OC(C(O)C(O)C2O)CO)CCCCC
InChIInChI1.03InChI=1S/C17H24N2O7/c1-2-3-4-5-10-6-9-7-19(17(24)18-15(9)25-10)16-14(23)13(22)12(21)11(8-20)26-16/h6-7,11-14,16,20-23H,2-5,8H2,1H3/t11-,12-,13+,14-,16-/m1/s1
InChIKeyInChI1.03OPBPIQMYHFDOAO-XYFZXANASA-N
SMILES_CANONICALCACTVS3.370CCCCCC1=CC2=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=O)N=C2O1
SMILESCACTVS3.370CCCCCC1=CC2=CN([CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)C(=O)N=C2O1
SMILES_CANONICALOpenEye OEToolkits1.7.6CCCCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
SMILESOpenEye OEToolkits1.7.6CCCCCC1=CC2=CN(C(=O)N=C2O1)C3C(C(C(C(O3)CO)O)O)O

226262

PDB entries from 2024-10-16

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