Ethyl 8-ethyl-5,6,7,8-tetrahydro-2-(methylthio)-5-oxopyrido(2,3-d)pyrimidine-6-carboxylate
Basic information
- CAS
52013-82-8- Standard SMILES
CCOC(=O)C1CN(CC)c2nc(SC)ncc2C1=O- InChIKey
FVWILZVHZREXKA-UHFFFAOYSA-N- Molecular formula
- C13H17N3O3S
- Average molar mass
- 295.36 g/mol
- Monoisotopic mass
- 295.09906259
Names & identifiers
- Preferred name
- Ethyl 8-ethyl-5,6,7,8-tetrahydro-2-(methylthio)-5-oxopyrido(2,3-d)pyrimidine-6-carboxylate
- IUPAC
- ethyl 8-ethyl-2-methylsulfanyl-5-oxo-6,7-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
- English name
- ethyl 8-ethyl-5,6,7,8-tetrahydro-2-(methylthio)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate
- Molecular formula
- C13H17N3O3S
- Molecular weight
- 295.36
Names & synonyms
52013-82-8Ethyl 8-ethyl-5,6,7,8-tetrahydro-2-(methylthio)-5-oxopyrido(2,3-d)pyrimidine-6-carboxylateEINECS 257-604-48-Ethyl-5,6,7,8-tetrahydro-2-(methylthio)-5-oxo-pyrido(2,3-d)pyrimidine-6-carboxylic acid ethyl esterethyl 8-ethyl-5,6,7,8-tetrahydro-2-(methylthio)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylateRefChem:138854257-604-4SCHEMBL11101244DTXSID90966348FVWILZVHZREXKA-UHFFFAOYSA-NDB-319527NS00059198
Show more names
8-Ethyl-5,6,7,8-tetrahydro-2-(methylthio)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl esterPyrido[2,3-d]pyrimidine-6-carboxylic acid, 8-ethyl-5,6,7,8-tetrahydro-2-(methylthio)-5-oxo-, ethyl ester
Ethyl 8-ethyl -5,6,7,8-tetrahydro-2-(methylthio)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylateethyl 8-ethyl-2-(methylsulfanyl)-5-oxo-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Database identifiers
- CAS
52013-82-8- PubChem CID
- 103580
- DTXSID
DTXSID90966348- EC Number
- 257-604-4
- Nikkaji
- J279.424A
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 97.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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