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Basic information
- Standard SMILES
COc1c(C)cnc(Cn2cc(C#CCCOS(N)(=O)=O)c3c(Cl)nc(N)nc32)c1C- InChIKey
HIIWGWIEKQITAM-UHFFFAOYSA-N- Molecular formula
- C19H21ClN6O4S
- Average molar mass
- 464.9 g/mol
Names & identifiers
- Preferred name
- 4-(2-amino-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)but-3-ynyl sulfamate
- IUPAC
- 4-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]but-3-ynyl sulfamate
Names & synonyms
SCHEMBL314070HIIWGWIEKQITAM-UHFFFAOYSA-N4-(2-amino-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)but-3-ynyl sulfamate
Database identifiers
- PubChem CID
- 57713864
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 783
Related reactions
2 records
Compound notes
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