4-[3-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)-4-nitrobutyl]benzoic acid ethyl ester

CCOC(=O)C1=CC=C(CCC(C[N+]([O-])=O)C2=C(N)NC(N)=NC2=O)C=C1

InChIKey=ACCKNCOTHFSBAG-UHFFFAOYSA-N

InChI=1S/C17H21N5O5/c1-2-27-16(24)11-6-3-10(4-7-11)5-8-12(9-22(25)26)13-14(18)20-17(19)21-15(13)23/h3-4,6-7,12H,2,5,8-9H2,1H3,(H5,18,19,20,21,23)

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:54:49 GMT 2025` Edited by `admin` on `Wed Apr 02 17:54:49 GMT 2025`
Record UNII	Q92N9N7CZ2
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

4-[3-(2,6-Diamino-4-oxo-3,4-dihydropyrimidine-5-yl)-4-nitrobutyl]benzoic acid ethyl ester

Preferred Name

English

4-[3-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)-4-nitrobutyl]benzoic acid ethyl ester

Systematic Name

English

Benzoic acid, 4-[3-(2,6-diamino-1,4-dihydro-4-oxo-5-pyrimidinyl)-4-nitrobutyl]-, ethyl ester

Systematic Name

English

Benzoic acid, 4-[3-(2,4-diamino-1,6-dihydro-6-oxo-5-pyrimidinyl)-4-nitrobutyl]-, ethyl ester

Systematic Name

English

Ethyl 4-[3-(2,4-diamino-1,6-dihydro-6-oxo-5-pyrimidinyl)-4-nitrobutyl]benzoate

Systematic Name

English

Code System Code Type Description

CAS

229470-22-8

Created by admin on Wed Apr 02 17:54:49 GMT 2025 , Edited by admin on Wed Apr 02 17:54:49 GMT 2025

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FDA UNII

Q92N9N7CZ2

Created by admin on Wed Apr 02 17:54:49 GMT 2025 , Edited by admin on Wed Apr 02 17:54:49 GMT 2025

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PUBCHEM

135440348

Created by admin on Wed Apr 02 17:54:49 GMT 2025 , Edited by admin on Wed Apr 02 17:54:49 GMT 2025

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