Stereochemistry | ACHIRAL |
Molecular Formula | C26H23F4N9O.C6H10O4 |
Molecular Weight | 699.6553 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CCCCC(O)=O.FC1=C(C=CN=C1C(F)(F)F)C(=O)N2CCC(CC2)N3CC(CC#N)(C3)N4C=C(C=N4)C5=NC=NC6=C5C=CN6
InChI
InChIKey=CEGWJIQFBNFMHQ-UHFFFAOYSA-N
InChI=1S/C26H23F4N9O.C6H10O4/c27-20-18(1-7-32-22(20)26(28,29)30)24(40)37-9-3-17(4-10-37)38-13-25(14-38,5-6-31)39-12-16(11-36-39)21-19-2-8-33-23(19)35-15-34-21;7-5(8)3-1-2-4-6(9)10/h1-2,7-8,11-12,15,17H,3-5,9-10,13-14H2,(H,33,34,35);1-4H2,(H,7,8)(H,9,10)