Identification Chemical Properties Safety Data Supplier

2170746-99-1

Name Spiro[cyclohexane-1,9'(6'H)-pyrazino[1',2':1,5]pyrrolo[2,3-d]pyrimidine]-7'(8'H)-carboxylic acid, 2'-(methylthio)-6'-oxo-, 1,1-dimethylethyl ester
CAS 2170746-99-1
Molecular Formula C20H26N4O3S
Molecular Weight 402.51
MOL File 2170746-99-1.mol
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Chemical Properties

Boiling point  591.6±60.0 °C(Predicted)
density  1.36±0.1 g/cm3(Predicted)
pka 3.62±0.20(Predicted)
InChI InChI=1S/C20H26N4O3S/c1-19(2,3)27-18(26)23-12-20(8-6-5-7-9-20)24-14(16(23)25)10-13-11-21-17(28-4)22-15(13)24/h10-11H,5-9,12H2,1-4H3
InChIKey ZNXCPAMKLRICKH-UHFFFAOYSA-N
SMILES C12(CN(C(OC(C)(C)C)=O)C(=O)C3N1C1C(C=3)=CN=C(SC)N=1)CCCCC2

Safety Data

Symbol(GHS) 
GHS02
Signal word  Warning
Hazard statements  H228-H252
Precautionary statements  P235+P410-P280-P407-P413-P420-P210-P240-P241-P280-P370+P378

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