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Details

Stereochemistry ACHIRAL
Molecular Formula C22H17ClF3N9O2
Molecular Weight 531.878
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Ensitrelvir

SMILES

CN1C=NC(CN2C(=O)N\C(=N/C3=CC4=CN(C)N=C4C=C3Cl)N(CC5=C(F)C=C(F)C(F)=C5)C2=O)=N1

InChI

InChIKey=QMPBBNUOBOFBFS-UHFFFAOYSA-N
InChI=1S/C22H17ClF3N9O2/c1-32-7-12-4-18(13(23)5-17(12)30-32)28-20-29-21(36)35(9-19-27-10-33(2)31-19)22(37)34(20)8-11-3-15(25)16(26)6-14(11)24/h3-7,10H,8-9H2,1-2H3,(H,28,29,36)

HIDE SMILES / InChI

Molecular Formula C22H17ClF3N9O2
Molecular Weight 531.878
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
PX665RAA3H
Record Status Validated (UNII)
Record Version