Thieno(2,3-d)pyrimidine-1(2H)-acetic acid, 3,4-dihydro-3-butyl-5,6-dimethyl-2,4-dioxo-
Basic information
- CAS
203808-43-9- Standard SMILES
CCCCn1c(=O)c2c(C)c(C)sc2n(CC(=O)O)c1=O- InChIKey
RVCWGAQMKFDRAM-UHFFFAOYSA-N- Molecular formula
- C14H18N2O4S
- Average molar mass
- 310.37 g/mol
- Monoisotopic mass
- 310.09872823
Names & identifiers
- Preferred name
- Thieno(2,3-d)pyrimidine-1(2H)-acetic acid, 3,4-dihydro-3-butyl-5,6-dimethyl-2,4-dioxo-
- IUPAC
- 2-(3-butyl-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl)acetic acid
Names & synonyms
Thieno(2,3-d)pyrimidine-1(2H)-acetic acid, 3,4-dihydro-3-butyl-5,6-dimethyl-2,4-dioxo-3,4-Dihydro-3-butyl-5,6-dimethyl-2,4-dioxothieno(2,3-d)pyrimidine-1(2H)-acetic acid203808-43-9DTXSID60174317RefChem:384964DTXCID5096808(3-Butyl-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl)acetic acid
Database identifiers
- CAS
203808-43-9- PubChem CID
- 3075769
- DTXSID
DTXSID60174317- Nikkaji
- J976.053I
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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