|
Name: BAY 85-8501
CAS#: 1161921-82-9
Chemical Formula: C22H17F3N4O3S
Exact Mass: 474.0973
Molecular Weight: 474.4582
Elemental Analysis: C, 55.69; H, 3.61; F, 12.01; N, 11.81; O, 10.12; S, 6.76 |
| Storage |
-20℃ for 3 years in powder form |
| -80℃ for 2 years in solvent |
| Technical Information |
Synonym: BAY 858501; BAY858501; BAY-858501; BAY 85-8501; BAY85-8501; BAY-85-8501.
IUPAC/Chemical Name: (S)-4-(4-cyano-2-(methylsulfonyl)phenyl)-3,6-dimethyl-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
InChi Key: YAJWYFPMASPAMM-HXUWFJFHSA-N
InChi Code: InChI=1S/C22H17F3N4O3S/c1-13-18(12-27)20(17-8-7-14(11-26)9-19(17)33(3,31)32)28(2)21(30)29(13)16-6-4-5-15(10-16)22(23,24)25/h4-10,20H,1-3H3/t20-/m1/s1
SMILES Code: N#CC1=C(C)N(C2=CC=CC(C(F)(F)F)=C2)C(N(C)[C@@H]1C3=CC=C(C#N)C=C3S(=O)(C)=O)=O |
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