U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C16H18N4O2S
Molecular Weight 330.405
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[[2-(5-Aminothiophen-2-yl)quinazolin-4-yl]-(2-hydroxyethyl)amino]ethanol

SMILES

NC1=CC=C(S1)C2=NC(N(CCO)CCO)=C3C=CC=CC3=N2

InChI

InChIKey=AJUYPTMLZYXFPL-UHFFFAOYSA-N
InChI=1S/C16H18N4O2S/c17-14-6-5-13(23-14)15-18-12-4-2-1-3-11(12)16(19-15)20(7-9-21)8-10-22/h1-6,21-22H,7-10,17H2

HIDE SMILES / InChI

Molecular Formula C16H18N4O2S
Molecular Weight 330.405
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 Sat Dec 16 19:59:27 GMT 2023
Edited
by admin
on Sat Dec 16 19:59:27 GMT 2023
Record UNII
X4M3ZP6JWZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[[2-(5-Aminothiophen-2-yl)quinazolin-4-yl]-(2-hydroxyethyl)amino]ethanol
Systematic Name English
Amino-2-thienyl)-4-quinazolinyl)imino)bisethanol, 2,2'-((2-(5-
Systematic Name English
Ethanol, 2,2'-((2-(5-amino-2-thienyl)-4-quinazolinyl)imino)bis-
Systematic Name English
Code System Code Type Description
PUBCHEM
148825
Created by admin on Sat Dec 16 19:59:27 GMT 2023 , Edited by admin on Sat Dec 16 19:59:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID30206871
Created by admin on Sat Dec 16 19:59:27 GMT 2023 , Edited by admin on Sat Dec 16 19:59:27 GMT 2023
PRIMARY
FDA UNII
X4M3ZP6JWZ
Created by admin on Sat Dec 16 19:59:27 GMT 2023 , Edited by admin on Sat Dec 16 19:59:27 GMT 2023
PRIMARY
CAS
58139-49-4
Created by admin on Sat Dec 16 19:59:27 GMT 2023 , Edited by admin on Sat Dec 16 19:59:27 GMT 2023
PRIMARY