Basic information
- Standard SMILES
CCOC(=O)c1cc2c(C#N)nc(N)nc2s1- InChIKey
IXICJHUVGHYIJC-UHFFFAOYSA-N- Molecular formula
- C10H8N4O2S
- Average molar mass
- 248.26 g/mol
Names & identifiers
- Preferred name
- 2-Amino-4-cyano-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester
- IUPAC
- ethyl 2-amino-4-cyanothieno[2,3-d]pyrimidine-6-carboxylate
Names & synonyms
SCHEMBL3317576IXICJHUVGHYIJC-UHFFFAOYSA-N2-amino-4-cyano-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 59519342
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 355
Related reactions
2 records
Compound notes
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