3,4-Dihydro-1,3-dimethyl-4-(nitromethylene)-2(1H)-pyrimidinone

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H9N3O3
Molecular Weight	183.1647
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 3,4-Dihydro-1,3-dimethyl-4-(nitromethylene)-2(1H)-pyrimidinone

Structure Search

SMILES

CN1C=C\C(=C/[N+]([O-])=O)N(C)C1=O

InChI

InChIKey=GPSMMSVKLWJPLW-AATRIKPKSA-N

InChI=1S/C7H9N3O3/c1-8-4-3-6(5-10(12)13)9(2)7(8)11/h3-5H,1-2H3/b6-5+

HIDE SMILES / InChI

Molecular Formula	C7H9N3O3
Molecular Weight	183.1647
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 20:02:35 GMT 2025` Edited by `admin` on `Tue Apr 01 20:02:35 GMT 2025`
Record UNII	VEQ8J73ZGF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-342460

Preferred Name

English

3,4-Dihydro-1,3-dimethyl-4-(nitromethylene)-2(1H)-pyrimidinone

Systematic Name

English

3,4-Dihydro-1,3-dimethyl-4-(nitromethylene)-2(1H)-pyrimidinone, (4E)-

Systematic Name

English

(4Z)-1,3-dimethyl-4-(nitromethylidene)-1,2,3,4-tetrahydropyrimidin-2-one

Systematic Name

English

2(1H)-Pyrimidinone, 3,4-dihydro-1,3-dimethyl-4-(nitromethylene)-, (E)-

Systematic Name

English

Code System Code Type Description

CAS

116705-42-1

Created by admin on Tue Apr 01 20:02:35 GMT 2025 , Edited by admin on Tue Apr 01 20:02:35 GMT 2025

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FDA UNII

VEQ8J73ZGF

Created by admin on Tue Apr 01 20:02:35 GMT 2025 , Edited by admin on Tue Apr 01 20:02:35 GMT 2025

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PUBCHEM

3003947

Created by admin on Tue Apr 01 20:02:35 GMT 2025 , Edited by admin on Tue Apr 01 20:02:35 GMT 2025

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CAS

67405-28-1

Created by admin on Tue Apr 01 20:02:35 GMT 2025 , Edited by admin on Tue Apr 01 20:02:35 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

NSC

342460

Created by admin on Tue Apr 01 20:02:35 GMT 2025 , Edited by admin on Tue Apr 01 20:02:35 GMT 2025

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EPA CompTox

DTXSID101155128

Created by admin on Tue Apr 01 20:02:35 GMT 2025 , Edited by admin on Tue Apr 01 20:02:35 GMT 2025

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