Basic information
- Standard SMILES
COC(=O)C=C(C)C(C)Sc1nc(N)cc(Cl)n1- InChIKey
BVFHBLZGWPZTRX-UHFFFAOYSA-N- Molecular formula
- C11H14ClN3O2S
- Average molar mass
- 287.77 g/mol
- Monoisotopic mass
- 287.0495256
Names & identifiers
- Preferred name
- Methyl 4-(4-amino-6-chloropyrimidin-2-yl)sulfanyl-3-methylpent-2-enoate
- IUPAC
- methyl 4-(4-amino-6-chloropyrimidin-2-yl)sulfanyl-3-methylpent-2-enoate
Names & synonyms
SCHEMBL6642930
Database identifiers
- PubChem CID
- 492828
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 327
Related reactions
1 records
Compound notes
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