Basic information
- CAS
132149-34-9- Standard SMILES
CCCCNC(=S)N[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO- InChIKey
FVEVTVBCEHECIA-QJPTWQEYSA-N- Molecular formula
- C15H24N4O4S
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.15182643
Names & identifiers
- Preferred name
- Thymidine, 3'-(((butylamino)thioxomethyl)amino)-3'-deoxy-
- IUPAC
- 1-butyl-3-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]thiourea
Names & synonyms
3'-(3-n-Butylthioureido)-3'-dT3'-(3-n-Butylthioureido)-3'-deoxythymidineThymidine, 3'-(((butylamino)thioxomethyl)amino)-3'-deoxy-132149-34-9Thymidine, 3'-[[(butylamino)thioxomethyl]amino]-3'-deoxy-DTXSID001573813'-[(Butylcarbamothioyl)amino]-3'-deoxythymidine1-butyl-3-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]thiourea
Database identifiers
- CAS
132149-34-9- PubChem CID
- 3000306
- DTXSID
DTXSID00157381- Nikkaji
- J363.197D
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 540
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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