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

Details

Stereochemistry RACEMIC
Molecular Formula C16H18F3IN4
Molecular Weight 450.2406
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PD-159790

SMILES

CCN1CCCC(C1)NC2=C3C=C(I)C=CC3=NC(=N2)C(F)(F)F

InChI

InChIKey=IRWWFCJIOHCTMV-UHFFFAOYSA-N
InChI=1S/C16H18F3IN4/c1-2-24-7-3-4-11(9-24)21-14-12-8-10(20)5-6-13(12)22-15(23-14)16(17,18)19/h5-6,8,11H,2-4,7,9H2,1H3,(H,21,22,23)

HIDE SMILES / InChI

Molecular Formula C16H18F3IN4
Molecular Weight 450.2406
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:53:18 GMT 2023
Edited
by admin
on Sat Dec 16 09:53:18 GMT 2023
Record UNII
3SY30OEV1U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PD-159790
Common Name English
4-QUINAZOLINAMINE, N-(1-ETHYL-3-PIPERIDINYL)-6-IODO-2-(TRIFLUOROMETHYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
9889954
Created by admin on Sat Dec 16 09:53:18 GMT 2023 , Edited by admin on Sat Dec 16 09:53:18 GMT 2023
PRIMARY
CAS
179598-53-9
Created by admin on Sat Dec 16 09:53:18 GMT 2023 , Edited by admin on Sat Dec 16 09:53:18 GMT 2023
PRIMARY
FDA UNII
3SY30OEV1U
Created by admin on Sat Dec 16 09:53:18 GMT 2023 , Edited by admin on Sat Dec 16 09:53:18 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY