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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H25ClN6O2S
Molecular Weight 448.97
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Nerandomilast

SMILES

OCC1(CCC1)NC2=C3[S@+]([O-])CCC3=NC(=N2)N4CCC(CC4)C5=NC=C(Cl)C=N5

InChI

InChIKey=UHYCLWAANUGUMN-SSEXGKCCSA-N
InChI=1S/C20H25ClN6O2S/c21-14-10-22-17(23-11-14)13-2-7-27(8-3-13)19-24-15-4-9-30(29)16(15)18(25-19)26-20(12-28)5-1-6-20/h10-11,13,28H,1-9,12H2,(H,24,25,26)/t30-/m1/s1

HIDE SMILES / InChI

Approval Year