Basic information
- Standard SMILES
COC(=O)c1sc2ncnc(Nc3cccnc3OC(C)CNC(=O)OC(C)(C)C)c2c1C- InChIKey
MQFVEPAZTCZRQY-UHFFFAOYSA-N- Molecular formula
- C22H27N5O5S
- Average molar mass
- 473.5 g/mol
Names & identifiers
- Preferred name
- Methyl 4-(2-(1-(tert-butoxycarbonylamino)propan-2-yloxy)pyridin-3-ylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate
- IUPAC
- methyl 5-methyl-4-[[2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yloxy]-3-pyridinyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate
Names & synonyms
SCHEMBL2368729MQFVEPAZTCZRQY-UHFFFAOYSA-NMethyl 4-(2-(1-(tert-butoxycarbonylamino)propan-2-yloxy)pyridin-3-ylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate
Database identifiers
- PubChem CID
- 58413405
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 678
Related reactions
1 records
Compound notes
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