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Details

Stereochemistry ACHIRAL
Molecular Formula C11H7ClN4O
Molecular Weight 246.652
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-CHLORO-5,11-DIHYDRO-6H-PYRIMIDO(4,5-B)(1,4)BENZODIAZEPIN-6-ONE

SMILES

ClC1=NC2=C(NC(=O)C3=CC=CC=C3N2)C=N1

InChI

InChIKey=JQQCNZKVCGQHEY-UHFFFAOYSA-N
InChI=1S/C11H7ClN4O/c12-11-13-5-8-9(16-11)14-7-4-2-1-3-6(7)10(17)15-8/h1-5H,(H,15,17)(H,13,14,16)

HIDE SMILES / InChI

Molecular Formula C11H7ClN4O
Molecular Weight 246.652
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 Tue Apr 01 20:06:12 GMT 2025
Edited
by admin
on Tue Apr 01 20:06:12 GMT 2025
Record UNII
45U99SPG4M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-CHLORO-5,11-DIHYDRO-6H-PYRIMIDO(4,5-B)(1,4)BENZODIAZEPIN-6-ONE
Systematic Name English
NSC-339165
Preferred Name English
6H-PYRIMIDO(4,5-B)(1,4)BENZODIAZEPIN-6-ONE, 2-CHLORO-5,11-DIHYDRO-
Systematic Name English
2-CHLORO-5,11-DIHYDROPYRIMIDO(4,5-B)(1,4)BENZODIAZEPIN-6-ONE
Systematic Name English
Code System Code Type Description
FDA UNII
45U99SPG4M
Created by admin on Tue Apr 01 20:06:12 GMT 2025 , Edited by admin on Tue Apr 01 20:06:12 GMT 2025
PRIMARY
NSC
339165
Created by admin on Tue Apr 01 20:06:12 GMT 2025 , Edited by admin on Tue Apr 01 20:06:12 GMT 2025
PRIMARY
EPA CompTox
DTXSID40216648
Created by admin on Tue Apr 01 20:06:12 GMT 2025 , Edited by admin on Tue Apr 01 20:06:12 GMT 2025
PRIMARY
PUBCHEM
334335
Created by admin on Tue Apr 01 20:06:12 GMT 2025 , Edited by admin on Tue Apr 01 20:06:12 GMT 2025
PRIMARY
CAS
66427-83-6
Created by admin on Tue Apr 01 20:06:12 GMT 2025 , Edited by admin on Tue Apr 01 20:06:12 GMT 2025
PRIMARY