tert-Butyl ((1-((2-chloro-5-(3,3-diethoxyprop-1-yn-1-yl)pyrimidin-4-yl)amino)cyclohexyl)methyl)carbamate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H35ClN4O4
Molecular Weight	467.001
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of tert-Butyl ((1-((2-chloro-5-(3,3-diethoxyprop-1-yn-1-yl)pyrimidin-4-yl)amino)cyclohexyl)methyl)carbamate

Structure Search

SMILES

CCOC(OCC)C#CC1=C(NC2(CNC(=O)OC(C)(C)C)CCCCC2)N=C(Cl)N=C1

InChI

InChIKey=PAJAZOMVSJXCNJ-UHFFFAOYSA-N

InChI=1S/C23H35ClN4O4/c1-6-30-18(31-7-2)12-11-17-15-25-20(24)27-19(17)28-23(13-9-8-10-14-23)16-26-21(29)32-22(3,4)5/h15,18H,6-10,13-14,16H2,1-5H3,(H,26,29)(H,25,27,28)

HIDE SMILES / InChI

Molecular Formula	C23H35ClN4O4
Molecular Weight	467.001
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 `Wed Apr 02 20:32:45 GMT 2025` Edited by `admin` on `Wed Apr 02 20:32:45 GMT 2025`
Record UNII	3QJV6QNB89
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,1-Dimethylethyl N-[[1-[[2-chloro-5-(3,3-diethoxy-1-propyn-1-yl)-4-pyrimidinyl]amino]cyclohexyl]methyl]carbamate

Preferred Name

English

tert-Butyl ((1-((2-chloro-5-(3,3-diethoxyprop-1-yn-1-yl)pyrimidin-4-yl)amino)cyclohexyl)methyl)carbamate

Systematic Name

English

Carbamic acid, N-[[1-[[2-chloro-5-(3,3-diethoxy-1-propyn-1-yl)-4-pyrimidinyl]amino]cyclohexyl]methyl]-, 1,1-dimethylethyl ester

Systematic Name

English

Code System Code Type Description

PUBCHEM

87428142

Created by admin on Wed Apr 02 20:32:45 GMT 2025 , Edited by admin on Wed Apr 02 20:32:45 GMT 2025

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FDA UNII

3QJV6QNB89

Created by admin on Wed Apr 02 20:32:45 GMT 2025 , Edited by admin on Wed Apr 02 20:32:45 GMT 2025

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CAS

1374635-88-7

Created by admin on Wed Apr 02 20:32:45 GMT 2025 , Edited by admin on Wed Apr 02 20:32:45 GMT 2025

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