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

Details

Stereochemistry ACHIRAL
Molecular Formula C19H17FN8O2
Molecular Weight 408.3891
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NELOCIGUAT

SMILES

COC(=O)NC1=C(N)N=C(N=C1N)C2=NN(CC3=C(F)C=CC=C3)C4=NC=CC=C24

InChI

InChIKey=FTQHGWIXJSSWOY-UHFFFAOYSA-N
InChI=1S/C19H17FN8O2/c1-30-19(29)24-14-15(21)25-17(26-16(14)22)13-11-6-4-8-23-18(11)28(27-13)9-10-5-2-3-7-12(10)20/h2-8H,9H2,1H3,(H,24,29)(H4,21,22,25,26)

HIDE SMILES / InChI

Molecular Formula C19H17FN8O2
Molecular Weight 408.3891
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
M2A18LL56O
Record Status Validated (UNII)
Record Version