Basic information
- Standard SMILES
CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)O)csc21- InChIKey
YLIGFLLLNZULKU-UHFFFAOYSA-N- Molecular formula
- C12H14N2O4S
- Average molar mass
- 282.32 g/mol
- Monoisotopic mass
- 282.06742811
Names & identifiers
- Preferred name
- 1,2,3,4-Tetrahydro-3-methyl-1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxylic acid
- IUPAC
- 3-methyl-1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxylic acid
Names & synonyms
1,2,3,4-Tetrahydro-3-methyl-1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxylic acid259862-10-7SCHEMBL7008610YLIGFLLLNZULKU-UHFFFAOYSA-NDB-336910
Database identifiers
- PubChem CID
- 5282524
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 426
Related reactions
1 records
Compound notes
Loading…