Basic information
- CAS
6183-61-5- Standard SMILES
COc1ccccc1-n1c(SCC(=O)Nc2cc(C)on2)nc2c(c1=O)SCC2- InChIKey
MTIYGRRHAKTENR-UHFFFAOYSA-N- Molecular formula
- C19H18N4O4S2
- Average molar mass
- 430.5 g/mol
- Monoisotopic mass
- 430.07694742
Names & identifiers
- Preferred name
- 2-((3-(2-methoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
- IUPAC
- 2-[[3-(2-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Names & synonyms
362501-84-66183-61-52-((3-(2-methoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide2-{[3-(2-methoxyphenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamideF0513-0322Oprea1_718980MLS000419193CHEMBL1548322DTXSID60411370HMS2680E09AKOS0017704182-[[3-(2-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Show more names
SMR000319797AB00156113-07SR-01000542362SR-01000542362-1F0579-02392-{[3-(2-Methoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Database identifiers
- CAS
6183-61-5- PubChem CID
- 5225076
- DTXSID
DTXSID60411370- ChEMBL
CHEMBL1548322
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 729
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…