Basic information
- Standard SMILES
O=S1(=O)CCN(C2CN(Cc3nc4c(N5CCOCC5)nc(Cl)nc4s3)C2)CC1- InChIKey
FGVNOOPCZNMUGX-UHFFFAOYSA-N- Molecular formula
- C17H23ClN6O3S2
- Average molar mass
- 459 g/mol
- Monoisotopic mass
- 458.0961587
Names & identifiers
- Preferred name
- 5-Chloro-2-[3-(1,1-Dioxo-1-thiomorpholin-4-yl)azetidin-1-ylmethyl]-7-morpholin-4-ylthiazolo[5,4-d]pyrimidine
- IUPAC
- 4-[1-[(5-chloro-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)methyl]azetidin-3-yl]-1,4-thiazinane 1,1-dioxide
Names & synonyms
SCHEMBL2673358FGVNOOPCZNMUGX-UHFFFAOYSA-N5-Chloro-2-[3-(1,1-Dioxo-1-thiomorpholin-4-yl)azetidin-1-ylmethyl]-7-morpholin-4-ylthiazolo[5,4-d]pyrimidine
Database identifiers
- PubChem CID
- 59605818
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 671
Related reactions
6 records
Compound notes
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