CFE

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Summary

Name:(8R)-3-beta-D-ribofuranosyl-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol
Synonyms:Coformycin
Formula:C11 H16 N4 O5
Formal charge:0
Molecular weight:284.269 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.6.1(2R,3R,4S,5R)-2-[(8R)-8-hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILES_CANONICALCACTVS3.352OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3[C@H](O)CNC=Nc23
SMILESCACTVS3.352OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3[CH](O)CNC=Nc23
SMILES_CANONICALOpenEye OEToolkits1.7.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC[C@H]2O
SMILESOpenEye OEToolkits1.7.0c1nc2c(n1C3C(C(C(O3)CO)O)O)N=CNCC2O
InChIInChI1.03InChI=1S/C11H16N4O5/c16-2-6-8(18)9(19)11(20-6)15-4-14-7-5(17)1-12-3-13-10(7)15/h3-6,8-9,11,16-19H,1-2H2,(H,12,13)/t5-,6-,8-,9-,11-/m1/s1
InChIKeyInChI1.03YOOVTUPUBVHMPG-LODYRLCVSA-N