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 ACHIRAL
Molecular Formula C20H23N7O2S
Molecular Weight 425.507
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DS-2248

SMILES

CNC(=O)CC1=CC2=NN(CC3=NC=C(C)C(OC)=C3C)C4=C2C(SC1)=NC(N)=N4

InChI

InChIKey=GRBFSGXSMHPNMC-UHFFFAOYSA-N
InChI=1S/C20H23N7O2S/c1-10-7-23-14(11(2)17(10)29-4)8-27-18-16-13(26-27)5-12(6-15(28)22-3)9-30-19(16)25-20(21)24-18/h5,7H,6,8-9H2,1-4H3,(H,22,28)(H2,21,24,25)

HIDE SMILES / InChI

Molecular Formula C20H23N7O2S
Molecular Weight 425.507
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
3HJ2545H66
Record Status Validated (UNII)
Record Version