3-[Bis(2-hydroxyethyl)amino]-5,7-diethyl-[1,2]thiazolo[3,4-d]pyrimidine-4,6-dione
Basic information
- CAS
56540-88-6- Standard SMILES
CCn1c(=O)c2c(N(CCO)CCO)snc2n(CC)c1=O- InChIKey
YLSYUCXWACBHBO-UHFFFAOYSA-N- Molecular formula
- C13H20N4O4S
- Average molar mass
- 328.39 g/mol
- Monoisotopic mass
- 328.12052631
Names & identifiers
- Preferred name
- 3-[Bis(2-hydroxyethyl)amino]-5,7-diethyl-[1,2]thiazolo[3,4-d]pyrimidine-4,6-dione
- IUPAC
- 3-[bis(2-hydroxyethyl)amino]-5,7-diethyl-[1,2]thiazolo[3,4-d]pyrimidine-4,6-dione
Names & synonyms
NSC28661456540-88-6DTXSID50314629NSC-2866143-[Bis(2-hydroxyethyl)amino]-5,7-diethyl[1,2]thiazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
Database identifiers
- CAS
56540-88-6- PubChem CID
- 323796
- DTXSID
DTXSID50314629
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 419
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Compound notes
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