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Details

Stereochemistry ACHIRAL
Molecular Formula C18H15BrF2N4O
Molecular Weight 421.239
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AS-1669058 FREE BASE

SMILES

CC1=CC(NCCC2=CC=C[N+]([O-])=C2)=NC(=N1)C3=CC(F)=C(Br)C=C3F

InChI

InChIKey=CCHGKGFZEORIJY-UHFFFAOYSA-N
InChI=1S/C18H15BrF2N4O/c1-11-7-17(22-5-4-12-3-2-6-25(26)10-12)24-18(23-11)13-8-16(21)14(19)9-15(13)20/h2-3,6-10H,4-5H2,1H3,(H,22,23,24)

HIDE SMILES / InChI

Molecular Formula C18H15BrF2N4O
Molecular Weight 421.239
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
539P83QV24
Record Status Validated (UNII)
Record Version