U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H20F6N6O2
Molecular Weight 538.445
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of D-0870

SMILES

O[C@](CN1C=NC=N1)(CN2C=NC(\C=C\C3=CC=C(OCC(F)(F)C(F)F)C=C3)=N2)C4=C(F)C=C(F)C=C4

InChI

InChIKey=FZEJTXCSLUORDW-DHXBXMGCSA-N
InChI=1S/C24H20F6N6O2/c25-17-4-7-19(20(26)9-17)23(37,10-35-14-31-13-33-35)11-36-15-32-21(34-36)8-3-16-1-5-18(6-2-16)38-12-24(29,30)22(27)28/h1-9,13-15,22,37H,10-12H2/b8-3+/t23-/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H20F6N6O2
Molecular Weight 538.445
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

PubMed

Substance Class Chemical
Record UNII
TIR28072AV
Record Status Validated (UNII)
Record Version