Basic information
- CAS
132149-40-7- Standard SMILES
Cc1cn([C@H]2C[C@H](NC(=S)Nc3ccc(Cl)cc3)[C@@H](CO)O2)c(=O)[nH]c1=O- InChIKey
AXTLRTHFKMLCCL-BFHYXJOUSA-N- Molecular formula
- C17H19ClN4O4S
- Average molar mass
- 410.9 g/mol
- Monoisotopic mass
- 410.081554
Names & identifiers
- Preferred name
- Thymidine, 3'-((((4-chlorophenyl)amino)thioxomethyl)amino)-3'-deoxy-
- IUPAC
- 1-(4-chlorophenyl)-3-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]thiourea
Names & synonyms
132149-40-73'-(3-(4-ClPh)thioureido)-3'-dTThymidine, 3'-((((4-chlorophenyl)amino)thioxomethyl)amino)-3'-deoxy-3'-(3-(4-Chlorophenylthioureido))-3'-deoxythymidine3'-[3-(4-ClPh)thioureido]-3'-dT3'-[3-(4-Chlorophenylthioureido)]-3'-deoxythymidineThymidine, 3'-[[[(4-chlorophenyl)amino]thioxomethyl]amino]-3'-deoxy-DTXSID601573873'-{[(4-Chlorophenyl)carbamothioyl]amino}-3'-deoxythymidine1-(4-chlorophenyl)-3-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]thiourea
Database identifiers
- CAS
132149-40-7- PubChem CID
- 3000313
- DTXSID
DTXSID60157387- Nikkaji
- J363.204K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 638
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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