(2Z)-2-(3H-benzothiazol-2-ylidene)-2-[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]acetonitrile; 2,2,2-trifluoroacetic acid

Molecular Formula: C23H22F6N6O5S


InChI: InChI=1/C19H20N6OS.2C2HF3O2/c20-13-14(18-23-16-3-1-2-4-17(16)27-18)15-5-6-21-19(24-15)22-7-8-25-9-11-26-12-10-25;2*3-2(4,5)1(6)7/h1-6,23H,7-12H2,(H,21,22,24);2*(H,6,7)/b18-14+;;/f/h22H;2*6H

InChIKey: InChIKey=JALLOXKCIGRPPS-AFXQUULXDJ
SMILES: C1COCCN1CCNC2=NC=CC(=N2)C(=C3NC4=CC=CC=C4S3)C#N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Names:
    (2Z)-2-(3H-benzothiazol-2-ylidene)-2-[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]acetonitrile; 2,2,2-trifluoroacetic acid

Registries:
    PubChem CID 11490407
    PubChem ID 16592077