2,9-DICHLORO-5,11-DIHYDRO-6H-PYRIMIDO(4,5-B)(1,4)BENZODIAZEPIN-6-ONE

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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 2,9-DICHLORO-5,11-DIHYDRO-6H-PYRIMIDO(4,5-B)(1,4)BENZODIAZEPIN-6-ONE

Structure Search

SMILES

ClC1=CC=C2C(NC3=C(NC2=O)C=NC(Cl)=N3)=C1

InChI

InChIKey=IOUYTJILTOVWQF-UHFFFAOYSA-N

InChI=1S/C11H6Cl2N4O/c12-5-1-2-6-7(3-5)15-9-8(16-10(6)18)4-14-11(13)17-9/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 `Tue Apr 01 20:00:07 GMT 2025` Edited by `admin` on `Tue Apr 01 20:00:07 GMT 2025`
Record UNII	RW1FKX8K2E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-339166

Preferred Name

English

2,9-DICHLORO-5,11-DIHYDRO-6H-PYRIMIDO(4,5-B)(1,4)BENZODIAZEPIN-6-ONE

Systematic Name

English

6H-PYRIMIDO(4,5-B)(1,4)BENZODIAZEPIN-6-ONE, 2,9-DICHLORO-5,11-DIHYDRO-

Systematic Name

English

Code System Code Type Description

FDA UNII

RW1FKX8K2E

Created by admin on Tue Apr 01 20:00:07 GMT 2025 , Edited by admin on Tue Apr 01 20:00:07 GMT 2025

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EPA CompTox

DTXSID00216649

Created by admin on Tue Apr 01 20:00:07 GMT 2025 , Edited by admin on Tue Apr 01 20:00:07 GMT 2025

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NSC

339166

Created by admin on Tue Apr 01 20:00:07 GMT 2025 , Edited by admin on Tue Apr 01 20:00:07 GMT 2025

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PUBCHEM

334336

Created by admin on Tue Apr 01 20:00:07 GMT 2025 , Edited by admin on Tue Apr 01 20:00:07 GMT 2025

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CAS

66427-84-7

Created by admin on Tue Apr 01 20:00:07 GMT 2025 , Edited by admin on Tue Apr 01 20:00:07 GMT 2025

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