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Details

Stereochemistry ACHIRAL
Molecular Formula C11H6Cl2N4O
Molecular Weight 281.098
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,8-Dichloro-5,11-dihydropyrimido[4,5-b][1,4]benzodiazepin-6-one

SMILES

ClC1=CC=C2NC3=NC(Cl)=NC=C3NC(=O)C2=C1

InChI

InChIKey=WWUWYSXCIDEZNN-UHFFFAOYSA-N
InChI=1S/C11H6Cl2N4O/c12-5-1-2-7-6(3-5)10(18)16-8-4-14-11(13)17-9(8)15-7/h1-4H,(H,16,18)(H,14,15,17)

HIDE SMILES / InChI

Molecular Formula C11H6Cl2N4O
Molecular Weight 281.098
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 12:39:13 GMT 2023
Edited
by admin
on Sat Dec 16 12:39:13 GMT 2023
Record UNII
W7EH64TJM6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,8-Dichloro-5,11-dihydropyrimido[4,5-b][1,4]benzodiazepin-6-one
Systematic Name English
NSC-339167
Code English
6H-PYRIMIDO(4,5-B)(1,4)BENZODIAZEPIN-6-ONE, 2,8-DICHLORO-5,11-DIHYDRO-
Systematic Name English
5,13-dichloro-2,4,6,9-tetraazatricyclo[9.4.0.0{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
Systematic Name English
2,8-Dichloro-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
Systematic Name English
Code System Code Type Description
PUBCHEM
334337
Created by admin on Sat Dec 16 12:39:13 GMT 2023 , Edited by admin on Sat Dec 16 12:39:13 GMT 2023
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NSC
339167
Created by admin on Sat Dec 16 12:39:13 GMT 2023 , Edited by admin on Sat Dec 16 12:39:13 GMT 2023
PRIMARY
FDA UNII
W7EH64TJM6
Created by admin on Sat Dec 16 12:39:13 GMT 2023 , Edited by admin on Sat Dec 16 12:39:13 GMT 2023
PRIMARY
EPA CompTox
DTXSID10216650
Created by admin on Sat Dec 16 12:39:13 GMT 2023 , Edited by admin on Sat Dec 16 12:39:13 GMT 2023
PRIMARY
CAS
66427-85-8
Created by admin on Sat Dec 16 12:39:13 GMT 2023 , Edited by admin on Sat Dec 16 12:39:13 GMT 2023
PRIMARY