3,4-Dihydro-3-[2-(methylamino)-2-oxoethyl]-4-oxo-2-(4-pyridinyl)thieno[2,3-d]pyrimidine-5-carboxylic acid
Basic information
- CAS
1217062-20-8- Standard SMILES
CNC(=O)Cn1c(-c2ccncc2)nc2scc(C(=O)O)c2c1=O- InChIKey
WFMILLNIOHAKQK-UHFFFAOYSA-N- Molecular formula
- C15H12N4O4S
- Average molar mass
- 344.3 g/mol
- Monoisotopic mass
- 344.05792605
Names & identifiers
- Preferred name
- 3,4-Dihydro-3-[2-(methylamino)-2-oxoethyl]-4-oxo-2-(4-pyridinyl)thieno[2,3-d]pyrimidine-5-carboxylic acid
- IUPAC
- 3-[2-(methylamino)-2-oxoethyl]-4-oxo-2-pyridin-4-ylthieno[2,3-d]pyrimidine-5-carboxylic acid
Names & synonyms
DTXSID1011106291217062-20-83,4-Dihydro-3-[2-(methylamino)-2-oxoethyl]-4-oxo-2-(4-pyridinyl)thieno[2,3-d]pyrimidine-5-carboxylic acid
Database identifiers
- CAS
1217062-20-8- PubChem CID
- 165367635
- DTXSID
DTXSID101110629
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 576
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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