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WUV

Summary
Name:5'-thiothymidine
Formula:C10 H14 N2 O4 S
Formal charge:0
Formula weight:258.294 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.015'-thiothymidine
OpenEye OEToolkits2.0.75-methyl-1-[(2~{R},4~{S},5~{S})-4-oxidanyl-5-(sulfanylmethyl)oxolan-2-yl]pyrimidine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(S)C2C(CC(N1C(NC(C(C)=C1)=O)=O)O2)O
InChIInChI1.03InChI=1S/C10H14N2O4S/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(4-17)16-8/h3,6-8,13,17H,2,4H2,1H3,(H,11,14,15)/t6-,7+,8+/m0/s1
InChIKeyInChI1.03CPEAGKYEYPXTSP-XLPZGREQSA-N
SMILES_CANONICALCACTVS3.385CC1=CN([C@H]2C[C@H](O)[C@@H](CS)O2)C(=O)NC1=O
SMILESCACTVS3.385CC1=CN([CH]2C[CH](O)[CH](CS)O2)C(=O)NC1=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CS)O
SMILESOpenEye OEToolkits2.0.7CC1=CN(C(=O)NC1=O)C2CC(C(O2)CS)O

225158

PDB entries from 2024-09-18

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