CTD

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Summary

Name:3-DEAZACYTIDINE
Formula:C10 H14 N2 O5
Formal charge:0
Molecular weight:242.229 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-amino-1-beta-D-ribofuranosylpyridin-2(1H)-one
OpenEye OEToolkits1.5.04-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1C=C(N)C=CN1C2OC(C(O)C2O)CO
SMILES_CANONICALCACTVS3.341NC1=CC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O
SMILESCACTVS3.341NC1=CC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O)[CH]2O
SMILES_CANONICALOpenEye OEToolkits1.5.0C1=CN(C(=O)C=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
SMILESOpenEye OEToolkits1.5.0C1=CN(C(=O)C=C1N)C2C(C(C(O2)CO)O)O
InChIInChI1.03InChI=1S/C10H14N2O5/c11-5-1-2-12(7(14)3-5)10-9(16)8(15)6(4-13)17-10/h1-3,6,8-10,13,15-16H,4,11H2/t6-,8-,9-,10-/m1/s1
InChIKeyInChI1.03OGADSZTVCUXSOK-PEBGCTIMSA-N
167518
PDB entries from 2020-08-12