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 C15H21ClF3N5O3
Molecular Weight 411.807
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of JPC-2056

SMILES

CC(C)NC(=N)NC(=N)NOCCCOC1=CC=C(OC(F)(F)F)C=C1Cl

InChI

InChIKey=NDJYKXNKFMMXEW-UHFFFAOYSA-N
InChI=1S/C15H21ClF3N5O3/c1-9(2)22-13(20)23-14(21)24-26-7-3-6-25-12-5-4-10(8-11(12)16)27-15(17,18)19/h4-5,8-9H,3,6-7H2,1-2H3,(H5,20,21,22,23,24)

HIDE SMILES / InChI

Molecular Formula C15H21ClF3N5O3
Molecular Weight 411.807
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
A8MUL83L0F
Record Status Validated (UNII)
Record Version