2-Chloro-8-methylthio-4-thiomorpholino-pyrimido-[5,4-d]-pyrimidine

HCID 20150171
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Basic information

Standard SMILES
CSc1ncnc2c(N3CCSCC3)nc(Cl)nc12
InChIKey
LZOOMGSCHLTIFM-UHFFFAOYSA-N
Molecular formula
C11H12ClN5S2
Average molar mass
313.8 g/mol

Names & identifiers

Preferred name
2-Chloro-8-methylthio-4-thiomorpholino-pyrimido-[5,4-d]-pyrimidine
IUPAC
4-(2-chloro-8-methylsulfanylpyrimido[5,4-d]pyrimidin-4-yl)thiomorpholine

Names & synonyms

SCHEMBL10658208LZOOMGSCHLTIFM-UHFFFAOYSA-N2-chloro-8-methylthio-4-thiomorpholino-pyrimido-[5,4-d]-pyrimidine

Database identifiers

PubChem CID
20150171

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
105 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
2
Heavy atoms
19

Related reactions

4 records
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Compound notes

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