Thymidine, 3'-deoxy-3'-(((ethylamino)thioxomethyl)amino)-
Basic information
- CAS
132149-33-8- Standard SMILES
CCNC(=S)N[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO- InChIKey
AHRZLVDYALXRHX-IVZWLZJFSA-N- Molecular formula
- C13H20N4O4S
- Average molar mass
- 328.39 g/mol
- Monoisotopic mass
- 328.12052631
Names & identifiers
- Preferred name
- Thymidine, 3'-deoxy-3'-(((ethylamino)thioxomethyl)amino)-
- IUPAC
- 1-ethyl-3-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]thiourea
Names & synonyms
3'-(3-Ethylthioureido)-3'-dT3'-(3-Ethylthioureido)-3'-deoxythymidineThymidine, 3'-deoxy-3'-(((ethylamino)thioxomethyl)amino)-132149-33-8Thymidine, 3'-deoxy-3'-[[(ethylamino)thioxomethyl]amino]-DTXSID401573803'-Deoxy-3'-[(ethylcarbamothioyl)amino]thymidine1-ethyl-3-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]thiourea
Database identifiers
- CAS
132149-33-8- PubChem CID
- 3000305
- DTXSID
DTXSID40157380- Nikkaji
- J363.196F
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 510
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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