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Details

Stereochemistry ACHIRAL
Molecular Formula C19H15FN4.ClH
Molecular Weight 354.809
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MRL-1237

SMILES

Cl.FC1=CC=C(C=C1)N2C(CN3C=CC(=N)C=C3)=NC4=C2C=CC=C4

InChI

InChIKey=OQLKNESERKFJAI-UHFFFAOYSA-N
InChI=1S/C19H15FN4.ClH/c20-14-5-7-16(8-6-14)24-18-4-2-1-3-17(18)22-19(24)13-23-11-9-15(21)10-12-23;/h1-12,21H,13H2;1H

HIDE SMILES / InChI

Molecular Formula C19H15FN4
Molecular Weight 318.3476
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

Molecular Formula ClH
Molecular Weight 36.461
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
9WG8QCL8J7
Record Status Validated (UNII)
Record Version