Thymidine, 3'-(((cyclohexylamino)thioxomethyl)amino)-3'-deoxy-
Basic information
- CAS
132149-37-2- Standard SMILES
Cc1cn([C@H]2C[C@H](NC(=S)NC3CCCCC3)[C@@H](CO)O2)c(=O)[nH]c1=O- InChIKey
BBEOSZJWCKFTTB-BFHYXJOUSA-N- Molecular formula
- C17H26N4O4S
- Average molar mass
- 382.5 g/mol
- Monoisotopic mass
- 382.1674765
Names & identifiers
- Preferred name
- Thymidine, 3'-(((cyclohexylamino)thioxomethyl)amino)-3'-deoxy-
- IUPAC
- 1-cyclohexyl-3-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]thiourea
Names & synonyms
3'-(3-Cyclohexylthioureido)-3'-dT132149-37-23'-(3-Cyclohexylthioureido)-3'-deoxythymidineThymidine, 3'-(((cyclohexylamino)thioxomethyl)amino)-3'-deoxy-Thymidine, 3'-[[(cyclohexylamino)thioxomethyl]amino]-3'-deoxy-DTXSID801573843'-[(Cyclohexylcarbamothioyl)amino]-3'-deoxythymidine1-cyclohexyl-3-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]thiourea
Database identifiers
- CAS
132149-37-2- PubChem CID
- 3000309
- DTXSID
DTXSID80157384- Nikkaji
- J363.200H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 606
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…