ethyl 3-(2-amino-2-oxoethyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-5-carboxylate
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Basic information
- CAS
1019013-54-7- Standard SMILES
CCOC(=O)C1CCc2sc3ncn(CC(N)=O)c(=O)c3c21- InChIKey
YYTYQKMYOUEXFH-UHFFFAOYSA-N- Molecular formula
- C14H15N3O4S
- Average molar mass
- 321.35 g/mol
- Monoisotopic mass
- 321.07832714
Names & identifiers
- Preferred name
- ethyl 3-(2-amino-2-oxoethyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-5-carboxylate
- IUPAC
- ethyl 11-(2-amino-2-oxoethyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-3-carboxylate
- English name
- ethyl 3-(2-amino-2-oxoethyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-5-carboxylate
- Molecular formula
- C14H15N3O4S
- Molecular weight
- 321.35
Names & synonyms
ethyl 3-(2-amino-2-oxoethyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-5-carboxylateAO-476/43415839ethyl 11-(2-amino-2-oxoethyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-3-carboxylate4H-Cyclopenta[4,5]thieno[2,3-d]pyrimidine-5-carboxylic acid, 3-(2-amino-2-oxoethyl)-3,5,6,7-tetrahydro-4-oxo-, ethyl ester
Database identifiers
- CAS
1019013-54-7- PubChem CID
- 25021137
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 538
Physicochemical properties
- Boiling point
- 573.5 · 573.5±60.0 °C(Predicted)
- Density
- 1.63 · 1.63±0.1 g/cm3(Predicted)
- pka
- 15.59 · 15.59±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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