Basic information
- Standard SMILES
CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=S)Nc4ccccc4OC)CC3)nc21- InChIKey
SWTHZOOIUCYLFW-UHFFFAOYSA-N- Molecular formula
- C22H24N6O4S
- Average molar mass
- 468.5 g/mol
Names & identifiers
- Preferred name
- 8-Ethyl-2-(4-((2-methoxyphenyl)carbamothioyl)piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
- IUPAC
- 8-ethyl-2-[4-[(2-methoxyphenyl)carbamothioyl]piperazin-1-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
Names & synonyms
8-ethyl-2-(4-((2-methoxyphenyl)carbamothioyl)piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid8-ethyl-2-{4-[(2-methoxyphenyl)carbamothioyl]piperazin-1-yl}-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acidSR-03000002332MLS004713618CHEMBL566093SCHEMBL1809639SWTHZOOIUCYLFW-UHFFFAOYSA-NSTK543562AKOS004104166SMR003484269SR-03000002332-1SR-03000002332-2
Show more names
2-(4-{[(2-Methoxyphenyl)amino]carbonothioyl}-1-piperazinyl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic Acid
Database identifiers
- PubChem CID
- 1920228
- ChEMBL
CHEMBL566093
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 787
Related reactions
1 records
Compound notes
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