U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C12H12FN5O3
Molecular Weight 293.2538
Optical Activity ( + )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISLATRAVIR ANHYDROUS

SMILES

NC1=C2N=CN([C@H]3C[C@H](O)[C@@](CO)(O3)C#C)C2=NC(F)=N1

InChI

InChIKey=IKKXOSBHLYMWAE-QRPMWFLTSA-N
InChI=1S/C12H12FN5O3/c1-2-12(4-19)6(20)3-7(21-12)18-5-15-8-9(14)16-11(13)17-10(8)18/h1,5-7,19-20H,3-4H2,(H2,14,16,17)/t6-,7+,12+/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H12FN5O3
Molecular Weight 293.2538
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
QPQ082R25D
Record Status Validated (UNII)
Record Version