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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H18BrN5O2
Molecular Weight 416.272
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Benzyl 2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate, (S)-

SMILES

NC1=NC=CN2C(=NC(Br)=C12)[C@@H]3CCCN3C(=O)OCC4=CC=CC=C4

InChI

InChIKey=DLXYYJDQLZHBNU-ZDUSSCGKSA-N
InChI=1S/C18H18BrN5O2/c19-15-14-16(20)21-8-10-24(14)17(22-15)13-7-4-9-23(13)18(25)26-11-12-5-2-1-3-6-12/h1-3,5-6,8,10,13H,4,7,9,11H2,(H2,20,21)/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H18BrN5O2
Molecular Weight 416.272
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 18:53:27 GMT 2023
Edited
by admin
on Sat Dec 16 18:53:27 GMT 2023
Record UNII
8S3XB5S78N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzyl 2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate, (S)-
Systematic Name English
1-PYRROLIDINECARBOXYLIC ACID 2-(8-AMINO-1-BROMOIMIDAZO(1,5-A)PYRAZIN-3-YL)-, PHENYLMETHYL ESTER (2S)-
Common Name English
PHENYLMETHYL (2S)-2-(8-AMINO-1-BROMOIMIDAZO(1,5-A)PYRAZIN-3-YL)-1-PYRROLIDINECARBOXYLATE
Systematic Name English
1-PYRROLIDINECARBOXYLIC ACID, 2-(8-AMINO-1-BROMOIMIDAZO(1,5-A)PYRAZIN-3-YL)-, PHENYLMETHYL ESTER, (2S)-
Common Name English
(S )-BENZYL 2-(8-AMINO-1-BROMOIMIDAZO(1,5-A)PYRAZIN-3-YL)PYRROLIDINE-1-CARBOXYLATE
Systematic Name English
Benzyl (2S)-2-{8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl}pyrrolidine-1-carboxylate
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID301112019
Created by admin on Sat Dec 16 18:53:27 GMT 2023 , Edited by admin on Sat Dec 16 18:53:27 GMT 2023
PRIMARY
PUBCHEM
71233875
Created by admin on Sat Dec 16 18:53:27 GMT 2023 , Edited by admin on Sat Dec 16 18:53:27 GMT 2023
PRIMARY
FDA UNII
8S3XB5S78N
Created by admin on Sat Dec 16 18:53:27 GMT 2023 , Edited by admin on Sat Dec 16 18:53:27 GMT 2023
PRIMARY
CAS
1420478-88-1
Created by admin on Sat Dec 16 18:53:27 GMT 2023 , Edited by admin on Sat Dec 16 18:53:27 GMT 2023
PRIMARY