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Details

Stereochemistry ACHIRAL
Molecular Formula C27H30F2N8.C4H4O4
Molecular Weight 620.6497
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SPH-4336

SMILES

OC(=O)\C=C/C(O)=O.CN(C)CCN1CCC2=C(C1)C=CC(NC3=NC=C(F)C(=N3)C4=CC(F)=C5N=C(C)N(C6CC6)C5=C4)=N2

InChI

InChIKey=QCKCFHAHQYPXKS-BTJKTKAUSA-N
InChI=1S/C27H30F2N8.C4H4O4/c1-16-31-26-20(28)12-18(13-23(26)37(16)19-5-6-19)25-21(29)14-30-27(34-25)33-24-7-4-17-15-36(11-10-35(2)3)9-8-22(17)32-24;5-3(6)1-2-4(7)8/h4,7,12-14,19H,5-6,8-11,15H2,1-3H3,(H,30,32,33,34);1-2H,(H,5,6)(H,7,8)/b;2-1-

HIDE SMILES / InChI

Approval Year