5-((2,4-DIOXO-1-IMIDAZOLIDINYL)IMINO)-4-OXOPENTANENITRILE

Stereochemistry	ACHIRAL
Molecular Formula	C8H8N4O3
Molecular Weight	208.1741
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0
Stereo Comments	Assumed E; MM2 minimum energy of E and Z are 9.9967 and 14.6047 kcal/mol respectively

O=C(CCC#N)\C=N\N1CC(=O)NC1=O

InChIKey=GPHUXCZOMQGSFG-ONNFQVAWSA-N

InChI=1S/C8H8N4O3/c9-3-1-2-6(13)4-10-12-5-7(14)11-8(12)15/h4H,1-2,5H2,(H,11,14,15)/b10-4+

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:12:12 GMT 2023` Edited by `admin` on `Sat Dec 16 05:12:12 GMT 2023`
Record UNII	WTP4NN7QJ8
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

5-((2,4-DIOXO-1-IMIDAZOLIDINYL)IMINO)-4-OXOPENTANENITRILE

Systematic Name

English

1-(((3-CYANO-1-OXOPROPYL)METHYLENE)AMINO)-2,4-IMIDAZOLIDINEDIONE

Systematic Name

English

PROPIONITRILE, 3-(N-2,4-DIOXO-1-IMIDAZOLIDINYLFORMIMIDOYLFORMYL)-

Systematic Name

English

Code System Code Type Description

FDA UNII

WTP4NN7QJ8

Created by admin on Sat Dec 16 05:12:12 GMT 2023 , Edited by admin on Sat Dec 16 05:12:12 GMT 2023

PRIMARY

PUBCHEM

9578275

Created by admin on Sat Dec 16 05:12:12 GMT 2023 , Edited by admin on Sat Dec 16 05:12:12 GMT 2023

PRIMARY

CAS

68192-18-7

Created by admin on Sat Dec 16 05:12:12 GMT 2023 , Edited by admin on Sat Dec 16 05:12:12 GMT 2023

PRIMARY

EPA CompTox

DTXSID101196437

Created by admin on Sat Dec 16 05:12:12 GMT 2023 , Edited by admin on Sat Dec 16 05:12:12 GMT 2023

PRIMARY

Related Record Type Details


					927AH8112L

PARENT -> METABOLITE

Amount: