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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H19F4N3O2
Molecular Weight 421.3881
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-[(2R)-2-Amino-2-phenylethyl]-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione

SMILES

CC1=CC(=O)N(C[C@H](N)C2=CC=CC=C2)C(=O)N1CC3=C(C=CC=C3F)C(F)(F)F

InChI

InChIKey=XMRSQYSLJDZINE-SFHVURJKSA-N
InChI=1S/C21H19F4N3O2/c1-13-10-19(29)28(12-18(26)14-6-3-2-4-7-14)20(30)27(13)11-15-16(21(23,24)25)8-5-9-17(15)22/h2-10,18H,11-12,26H2,1H3/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H19F4N3O2
Molecular Weight 421.3881
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:14:55 GMT 2023
Edited
by admin
on Sat Dec 16 19:14:55 GMT 2023
Record UNII
2C5QMJ4SX7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-[(2R)-2-Amino-2-phenylethyl]-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione
Systematic Name English
2,4(1H,3H)-Pyrimidinedione, 3-[(2R)-2-amino-2-phenylethyl]-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-
Systematic Name English
Code System Code Type Description
PUBCHEM
140085550
Created by admin on Sat Dec 16 19:14:55 GMT 2023 , Edited by admin on Sat Dec 16 19:14:55 GMT 2023
PRIMARY
FDA UNII
2C5QMJ4SX7
Created by admin on Sat Dec 16 19:14:55 GMT 2023 , Edited by admin on Sat Dec 16 19:14:55 GMT 2023
PRIMARY
CAS
2658608-80-9
Created by admin on Sat Dec 16 19:14:55 GMT 2023 , Edited by admin on Sat Dec 16 19:14:55 GMT 2023
PRIMARY