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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H35F2N5O2S
Molecular Weight 543.6737
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PRN-694

SMILES

C=CC(=O)N1CCC[C@]1([H])Cn2c3ccc(cc3nc2NC(=O)c4ccc(C(F)F)s4)CN[C@@]([H])(C)C(C)(C)C

InChI

InChIKey=NXTKFBGDLDPFLB-PKOBYXMFSA-N
InChI=1S/C28H35F2N5O2S/c1-6-24(36)34-13-7-8-19(34)16-35-21-10-9-18(15-31-17(2)28(3,4)5)14-20(21)32-27(35)33-26(37)23-12-11-22(38-23)25(29)30/h6,9-12,14,17,19,25,31H,1,7-8,13,15-16H2,2-5H3,(H,32,33,37)/t17-,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H35F2N5O2S
Molecular Weight 543.6737
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 Jun 26 07:00:44 UTC 2021
Edited
by admin
on Sat Jun 26 07:00:44 UTC 2021
Record UNII
K5IZ54DF9G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PRN-694
Common Name English
2-THIOPHENECARBOXAMIDE, 5-(DIFLUOROMETHYL)-N-(1-(((2R)-1-(1-OXO-2-PROPEN-1-YL)-2-PYRROLIDINYL)METHYL)-5-((((1S)-1,2,2-TRIMETHYLPROPYL)AMINO)METHYL)-1H-BENZIMIDAZOL-2-YL)-
Systematic Name English
5-(DIFLUOROMETHYL)-N-(5-((((2S)-3,3-DIMETHYLBUTAN-2-YL)AMINO)METHYL)-1-(((2R)-1-PROP-2-ENOYLPYRROLIDIN-2-YL)METHYL)BENZIMIDAZOL-2-YL)THIOPHENE-2-CARBOXAMIDE
Systematic Name English
PRN694
Common Name English
5-(DIFLUOROMETHYL)-N-(1-(((2R)-1-(1-OXO-2-PROPEN-1-YL)-2-PYRROLIDINYL)METHYL)-5-((((1S)-1,2,2-TRIMETHYLPROPYL)AMINO)METHYL)-1H-BENZIMIDAZOL-2-YL)-2-THIOPHENECARBOXAMIDE
Systematic Name English
Code System Code Type Description
FDA UNII
K5IZ54DF9G
Created by admin on Sat Jun 26 07:00:44 UTC 2021 , Edited by admin on Sat Jun 26 07:00:44 UTC 2021
PRIMARY
CAS
1575818-46-0
Created by admin on Sat Jun 26 07:00:44 UTC 2021 , Edited by admin on Sat Jun 26 07:00:44 UTC 2021
PRIMARY
PUBCHEM
90044055
Created by admin on Sat Jun 26 07:00:44 UTC 2021 , Edited by admin on Sat Jun 26 07:00:44 UTC 2021
PRIMARY
Related Record Type Details
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