Basic information
- CAS
132149-36-1- Standard SMILES
Cc1cn([C@H]2C[C@H](NC(=S)NC(C)(C)CC(C)(C)C)[C@@H](CO)O2)c(=O)[nH]c1=O- InChIKey
AFCADQKDXPEXAY-BFHYXJOUSA-N- Molecular formula
- C19H32N4O4S
- Average molar mass
- 412.5 g/mol
- Monoisotopic mass
- 412.21442669
Names & identifiers
- Preferred name
- Thymidine, 3'-deoxy-3'-((((1,1,3,3-tetramethylbutyl)amino)thioxomethyl)amino)-
- IUPAC
- 1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-3-(2,4,4-trimethylpentan-2-yl)thiourea
Names & synonyms
3'(3(TetraMeBu)thioureido)-3'dT132149-36-1Thymidine, 3'-deoxy-3'-((((1,1,3,3-tetramethylbutyl)amino)thioxomethyl)amino)-3'-(3-(1,1,3,3-Tetramethylbutyl)thioureido)-3'-deoxythymidine3'[3(TetraMeBu)thioureido]-3'dT3'-[3-(1,1,3,3-Tetramethylbutyl)thioureido]-3'-deoxythymidineThymidine, 3'-deoxy-3'-[[[(1,1,3,3-tetramethylbutyl)amino]thioxomethyl]amino]-DTXSID201573833'-Deoxy-3'-{[(2,4,4-trimethylpentan-2-yl)carbamothioyl]amino}thymidine1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]-3-(1,1,3,3-tetramethylbutyl)thiourea
Database identifiers
- CAS
132149-36-1- PubChem CID
- 3000308
- DTXSID
DTXSID20157383- Nikkaji
- J363.199K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 671
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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