Thymidine, 3'-deoxy-3'-((thioxo(tricyclo(3.3.1.13,7)dec-1-ylamino)methyl)amino)-
Basic information
- CAS
132177-77-6- Standard SMILES
Cc1cn([C@H]2C[C@H](NC(=S)NC34CC5CC(CC(C5)C3)C4)[C@@H](CO)O2)c(=O)[nH]c1=O- InChIKey
IQEZABZYUXIOMC-YOMYUQHKSA-N- Molecular formula
- C21H30N4O4S
- Average molar mass
- 434.6 g/mol
- Monoisotopic mass
- 434.19877662
Names & identifiers
- Preferred name
- Thymidine, 3'-deoxy-3'-((thioxo(tricyclo(3.3.1.13,7)dec-1-ylamino)methyl)amino)-
- IUPAC
- 1-(1-adamantyl)-3-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]thiourea
Names & synonyms
3'(3Adamanthylthioureido)-3'dT3'-(3-Adamantylthioureido)-3'-deoxythymidine132177-77-6Thymidine, 3'-deoxy-3'-((thioxo(tricyclo(3.3.1.13,7)dec-1-ylamino)methyl)amino)-Thymidine, 3'-deoxy-3'-[[thioxo(tricyclo[3.3.1.13,7]dec-1-ylamino)methyl]amino]-DTXSID301574103'-{[(Adamantan-1-yl)carbamothioyl]amino}-3'-deoxythymidine1-(1-adamantyl)-3-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]thiourea
Database identifiers
- CAS
132177-77-6- PubChem CID
- 3000310
- DTXSID
DTXSID30157410- Nikkaji
- J363.201F
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 759
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Compound notes
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