Basic information
- Standard SMILES
CN(C)C/C=C/C(=O)N1Cc2sc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2C1- InChIKey
FKHGTMQRLLWPJO-FNORWQNLSA-N- Molecular formula
- C26H25ClN6O2S
- Average molar mass
- 521 g/mol
Names & identifiers
- Preferred name
- N-[3-Chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[(2E)-4-(dimethylamino)but-2-enoyl]-6,7-dihydro-5H-pyrrolo[3',4':4,5]thieno[2,3-d]pyrimidin-4-amine
- IUPAC
- (E)-1-[12-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-thia-4,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-4-yl]-4-(dimethylamino)but-2-en-1-one
Names & synonyms
SCHEMBL937487CHEMBL3655346FKHGTMQRLLWPJO-FNORWQNLSA-NBDBM101236US8524722, 87N-[3-Chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[(2E)-4-(dimethylamino)but-2-enoyl]-6,7-dihydro-5H-pyrrolo[3',4':4,5]thieno[2,3-d]pyrimidin-4-amine
Database identifiers
- PubChem CID
- 58116992
- ChEMBL
CHEMBL3655346
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 775
Related reactions
1 records
Compound notes
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