4-Thiazolidinone, 3-(2-(6-amino-9H-purin-9-yl)ethyl)-2-(hydroxymethyl)-
Basic information
- CAS
181507-39-1- Standard SMILES
Nc1ncnc2c1ncn2CCN1C(=O)CSC1CO- InChIKey
VWTANYGZAGGZFH-UHFFFAOYSA-N- Molecular formula
- C11H14N6O2S
- Average molar mass
- 294.34 g/mol
- Monoisotopic mass
- 294.08989488
Names & identifiers
- Preferred name
- 4-Thiazolidinone, 3-(2-(6-amino-9H-purin-9-yl)ethyl)-2-(hydroxymethyl)-
- IUPAC
- 3-[2-(6-aminopurin-9-yl)ethyl]-2-(hydroxymethyl)-1,3-thiazolidin-4-one
- English name
- 1-[(2-HOCH2-4-oxo-3-thiazol)Et]adenine
- Molecular formula
- C11H14N6O2S
- Molecular weight
- 294.33286
Names & synonyms
181507-39-14-Thiazolidinone, 3-(2-(6-amino-9H-purin-9-yl)ethyl)-2-(hydroxymethyl)-3-(2-(6-Amino-9H-purin-9-yl)ethyl)-2-(hydroxymethyl)thiazolidin-4-one1-((2-HOCH2-4-oxo-3-thiazol)Et)adenine1-[(2-HOCH2-4-oxo-3-thiazol)Et]adenine4-Thiazolidinone, 3-[2-(6-amino-9H-purin-9-yl)ethyl]-2-(hydroxymethyl)-3-[2-(6-aminopurin-9-yl)ethyl]-2-(hydroxymethyl)-1,3-thiazolidin-4-oneCHEMBL52288SCHEMBL8908017DTXSID60939448ZINC000069793-[2-(6-aminopurin-9-yl)ethyl]-2-(hydroxymethyl)thiazolidin-4-one
Show more names
3-[2-(6-Amino-9H-purin-9-yl)ethyl]-2-(hydroxymethyl)-1,3-thiazolidin-4-one
Database identifiers
- CAS
181507-39-1- PubChem CID
- 464745
- DTXSID
DTXSID60939448- ChEMBL
CHEMBL52288
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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