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Details

Stereochemistry ACHIRAL
Molecular Formula C35H34ClN5O3S2
Molecular Weight 672.259
Optical Activity NONE
Additional Stereochemistry Yes
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0
Stereo Comments Axial stereochemistry

SHOW SMILES / InChI
Structure of AZD-5991

SMILES

CN1N=C2CSCC3=NN(C)C(C)=C3C4=C(Cl)C=CC5=C4N(C)C(C(O)=O)=C5CCCOC6=CC(SCC1=C2)=CC7=C6C=CC=C7

InChI

InChIKey=KBQCEQAXHPIRTF-UHFFFAOYSA-N
InChI=1S/C35H34ClN5O3S2/c1-20-31-29(38-40(20)3)19-45-17-22-15-23(41(4)37-22)18-46-24-14-21-8-5-6-9-25(21)30(16-24)44-13-7-10-26-27-11-12-28(36)32(31)33(27)39(2)34(26)35(42)43/h5-6,8-9,11-12,14-16H,7,10,13,17-19H2,1-4H3,(H,42,43)

HIDE SMILES / InChI

Approval Year