Basic information
- Standard SMILES
CCOC(=O)CN1Cc2cc(/C=C/C(=O)O)cnc2NC1=O.Cl- InChIKey
XYVUZJHMCKIDFN-BJILWQEISA-N- Molecular formula
- C14H16ClN3O5
- Average molar mass
- 341.75 g/mol
Names & identifiers
- Preferred name
- (E)-3-(3-ethoxycarbonylmethyl-2-oxo-1,2,3,4-tetrahydro-pyrido[2,3-d]pyrimidin-6-yl)acrylic acid hydrochloride
- IUPAC
- (E)-3-[3-(2-ethoxy-2-oxoethyl)-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-6-yl]prop-2-enoic acid;hydrochloride
Names & synonyms
SCHEMBL1253121XYVUZJHMCKIDFN-BJILWQEISA-N(E)-3-(3-(2-Ethoxy-2-oxoethyl)-2-oxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-6-yl)acrylic acid hydrochloride(E)-3-(3-ethoxycarbonylmethyl-2-oxo-1,2,3,4-tetrahydro-pyrido[2,3-d]pyrimidin-6-yl)acrylic acid hydrochloride
Database identifiers
- PubChem CID
- 66966906
Properties
Computed structural properties
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 479
Related reactions
8 records
Compound notes
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