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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H20FN5O2S
Molecular Weight 449.501
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-PYRIDINECARBOXAMIDE, N-((1S,3S)-3-(4-AMINO-5-FLUORO-2-OXO-1(2H)-PYRIMIDINYL)CYCLOPENTYL)-4-BENZO(B)THIEN-2-YL-

SMILES

NC1=NC(=O)N(C=C1F)[C@H]2CC[C@@H](C2)NC(=O)C3=NC=CC(=C3)C4=CC5=CC=CC=C5S4

InChI

InChIKey=YBTIDKMFVSZULE-HOTGVXAUSA-N
InChI=1S/C23H20FN5O2S/c24-17-12-29(23(31)28-21(17)25)16-6-5-15(11-16)27-22(30)18-9-14(7-8-26-18)20-10-13-3-1-2-4-19(13)32-20/h1-4,7-10,12,15-16H,5-6,11H2,(H,27,30)(H2,25,28,31)/t15-,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H20FN5O2S
Molecular Weight 449.501
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:06:54 GMT 2023
Edited
by admin
on Sat Dec 16 08:06:54 GMT 2023
Record UNII
ZY63TG2NHL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-PYRIDINECARBOXAMIDE, N-((1S,3S)-3-(4-AMINO-5-FLUORO-2-OXO-1(2H)-PYRIMIDINYL)CYCLOPENTYL)-4-BENZO(B)THIEN-2-YL-
Systematic Name English
LP-661438
Common Name English
N-((1S,3S)-3-(4-AMINO-5-FLUORO-2-OXO-1(2H)-PYRIMIDINYL)CYCLOPENTYL)-4-BENZO(B)THIEN-2-YL-2-PYRIDINECARBOXAMIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
24883191
Created by admin on Sat Dec 16 08:06:54 GMT 2023 , Edited by admin on Sat Dec 16 08:06:54 GMT 2023
PRIMARY
FDA UNII
ZY63TG2NHL
Created by admin on Sat Dec 16 08:06:54 GMT 2023 , Edited by admin on Sat Dec 16 08:06:54 GMT 2023
PRIMARY
CAS
1034174-88-3
Created by admin on Sat Dec 16 08:06:54 GMT 2023 , Edited by admin on Sat Dec 16 08:06:54 GMT 2023
PRIMARY