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Details

Stereochemistry ACHIRAL
Molecular Formula C9H8BrN7
Molecular Weight 294.111
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PBF-999

SMILES

NC1=C(Br)C(NCC#C)=NC(=N1)N2C=NC=N2

InChI

InChIKey=OQCWNHHZPYJHQR-UHFFFAOYSA-N
InChI=1S/C9H8BrN7/c1-2-3-13-8-6(10)7(11)15-9(16-8)17-5-12-4-14-17/h1,4-5H,3H2,(H3,11,13,15,16)

HIDE SMILES / InChI

Molecular Formula C9H8BrN7
Molecular Weight 294.111
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:38:19 UTC 2023
Edited
by admin
on Sat Dec 16 14:38:19 UTC 2023
Record UNII
DY6W3NQA36
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PBF-999
Code English
PBF999
Code English
PBF 999 [WHO-DD]
Common Name English
4,6-PYRIMIDINEDIAMINE, 5-BROMO-N4-2-PROPYN-1-YL-2-(1H-1,2,4-TRIAZOL-1-YL)-
Systematic Name English
ADENOSINE A2A RECEPTOR ANTAGONIST/PHOSPHODIESTERASE 10A PBF-999
Common Name English
5-BROMO-N-(PROP-2-YN-1-YL)-2-(1H-1,2,4-TRIAZOL-1-YL)PYRIMIDINE-4,6-DIAMINE
Systematic Name English
Classification Tree Code System Code
EU-Orphan Drug EU/3/14/1392
Created by admin on Sat Dec 16 14:38:19 UTC 2023 , Edited by admin on Sat Dec 16 14:38:19 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C157489
Created by admin on Sat Dec 16 14:38:19 UTC 2023 , Edited by admin on Sat Dec 16 14:38:19 UTC 2023
PRIMARY
SMS_ID
300000013146
Created by admin on Sat Dec 16 14:38:19 UTC 2023 , Edited by admin on Sat Dec 16 14:38:19 UTC 2023
PRIMARY
PUBCHEM
77107498
Created by admin on Sat Dec 16 14:38:19 UTC 2023 , Edited by admin on Sat Dec 16 14:38:19 UTC 2023
PRIMARY
FDA UNII
DY6W3NQA36
Created by admin on Sat Dec 16 14:38:19 UTC 2023 , Edited by admin on Sat Dec 16 14:38:19 UTC 2023
PRIMARY
CAS
1620909-95-6
Created by admin on Sat Dec 16 14:38:19 UTC 2023 , Edited by admin on Sat Dec 16 14:38:19 UTC 2023
PRIMARY
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