2-Amino-4-[2,4-dichloro-5-[2-(1-pyrrolidinyl)ethoxy]phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H23Cl2N5O2S
Molecular Weight	480.411
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-Amino-4-[2,4-dichloro-5-[2-(1-pyrrolidinyl)ethoxy]phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide

Structure Search

SMILES

CCNC(=O)C1=CC2=C(S1)N=C(N)N=C2C3=C(Cl)C=C(Cl)C(OCCN4CCCC4)=C3

InChI

InChIKey=WJUNQSYQHHIVFX-UHFFFAOYSA-N

InChI=1S/C21H23Cl2N5O2S/c1-2-25-19(29)17-10-13-18(26-21(24)27-20(13)31-17)12-9-16(15(23)11-14(12)22)30-8-7-28-5-3-4-6-28/h9-11H,2-8H2,1H3,(H,25,29)(H2,24,26,27)

HIDE SMILES / InChI

Molecular Formula	C21H23Cl2N5O2S
Molecular Weight	480.411
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Heat shock protein HSP 90-beta 14 Target ID: CHEMBL4303 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19610616	Inhibitor 8504		58.0 nM [Kd]

Substance Class	Chemical Created by `admin` on `Wed Apr 02 07:18:00 GMT 2025` Edited by `admin` on `Wed Apr 02 07:18:00 GMT 2025`
Record UNII	GWB3R6VBE7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NVP-BEP800

Preferred Name

English

2-Amino-4-[2,4-dichloro-5-[2-(1-pyrrolidinyl)ethoxy]phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide

Systematic Name

English

Thieno[2,3-d]pyrimidine-6-carboxamide, 2-amino-4-[2,4-dichloro-5-[2-(1-pyrrolidinyl)ethoxy]phenyl]-N-ethyl-

Systematic Name

English

2-Azanyl-4-(2,4-bis(chloranyl)-5-(2-pyrrolidin-1-ylethoxy)phenyl)-N-ethyl-thieno(2,3-d)lyrimidine-6-carboxamide

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID60649095