Basic information
- Standard SMILES
COC(=O)c1c(C)sc2c1c(=O)n(C)c(=O)n2CC(C)C- InChIKey
ZOZLIRDDECXJGM-UHFFFAOYSA-N- Molecular formula
- C14H18N2O4S
- Average molar mass
- 310.37 g/mol
- Monoisotopic mass
- 310.09872823
Names & identifiers
- Preferred name
- Methyl 1-isobutyl-3,6-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-5-carboxylate
- IUPAC
- methyl 3,6-dimethyl-1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxylate
Names & synonyms
491613-98-0methyl 1-isobutyl-3,6-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-5-carboxylateThieno[2,3-d]pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-3,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-, methyl esterMethyl 1,2,3,4-tetrahydro-3,6-dimethyl-1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxylateSCHEMBL3826819ZOZLIRDDECXJGM-UHFFFAOYSA-NDB-370680CS-0452922P16456methyl 1-isobutyl-3,6-dimethyl-2,4-dioxo-thieno[2,3-d]pyrimidine-5-carboxylatemethyl 1,2,3,4-tetrahydro-3,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-thieno[2,3-d]pyrimidine-5-carboxylateMethyl 1,2,3,4-tetrahydro-3,6-dimethyl-1-(isobutyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxylate
Show more names
Thieno[2,3-d]pyrimidine-5-carboxylicacid,1,2,3,4-tetrahydro-3,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-,methylester
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 468
Related reactions
3 records
Compound notes
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