Basic information
- Standard SMILES
CCOC(=O)c1c(Cc2ccnc3ccccc23)sc2c1c(=O)n(C)c(=O)n2CC(C)C- InChIKey
QOMWYGUACIUJEM-UHFFFAOYSA-N- Molecular formula
- C24H25N3O4S
- Average molar mass
- 451.5 g/mol
- Monoisotopic mass
- 451.15657746
Names & identifiers
- Preferred name
- Ethyl 1,2,3,4-tetrahydro-3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-(4-quinolinylmethyl)thieno[2,3-d]pyrimidine-5-carboxylate
- IUPAC
- ethyl 3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-(quinolin-4-ylmethyl)thieno[2,3-d]pyrimidine-5-carboxylate
Names & synonyms
Ethyl 1,2,3,4-tetrahydro-3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-(4-quinolinylmethyl)thieno[2,3-d]pyrimidine-5-carboxylateSCHEMBL3828070QOMWYGUACIUJEM-UHFFFAOYSA-NEthyl 1,2,3,4-tetrahydro-3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-(4-quinolinylmethyl)-thieno[2,3-d]pyrimidine-5-carboxylateEthyl 1,2,3,4-tetrahydro-3-methyl-1-(isobutyl)-2,4-dioxo-6-(4-quinolinylmethyl)-thieno[2,3-d]pyrimidine-5-carboxylate
Database identifiers
- PubChem CID
- 5282570
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 732
Related reactions
2 records
Compound notes
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