Basic information
- CAS
132149-35-0- Standard SMILES
Cc1cn([C@H]2C[C@H](NC(=S)NCCC(C)C)[C@@H](CO)O2)c(=O)[nH]c1=O- InChIKey
FNXNNISKEKQHHJ-YNEHKIRRSA-N- Molecular formula
- C16H26N4O4S
- Average molar mass
- 370.5 g/mol
- Monoisotopic mass
- 370.1674765
Names & identifiers
- Preferred name
- Thymidine, 3'-deoxy-3'-((((3-methylbutyl)amino)thioxomethyl)amino)-
- IUPAC
- 1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-3-(3-methylbutyl)thiourea
Names & synonyms
3'-(3-Isoamylthioureido)-3'-dT132149-35-03'-(3-Isoamylthioureido)-3'-deoxythymidineThymidine, 3'-deoxy-3'-((((3-methylbutyl)amino)thioxomethyl)amino)-Thymidine, 3'-deoxy-3'-[[[(3-methylbutyl)amino]thioxomethyl]amino]-DTXSID601573823'-Deoxy-3'-{[(3-methylbutyl)carbamothioyl]amino}thymidine1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]-3-isopentyl-thiourea
Database identifiers
- CAS
132149-35-0- PubChem CID
- 3000307
- DTXSID
DTXSID60157382- Nikkaji
- J363.198B
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 566
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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