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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H11ClN4OS
Molecular Weight 366.824
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(4-CHLOROPHENYL)-9-(2-PROPYN-1-YLAMINO)PYRIDO(3',2':4,5)THIENO(3,2-D)PYRIMIDIN-4(3H)-ONE

SMILES

ClC1=CC=C(C=C1)N2C=NC3=C(SC4=NC=CC(NCC#C)=C34)C2=O

InChI

InChIKey=MAYHTEHJUHRFSA-UHFFFAOYSA-N
InChI=1S/C18H11ClN4OS/c1-2-8-20-13-7-9-21-17-14(13)15-16(25-17)18(24)23(10-22-15)12-5-3-11(19)4-6-12/h1,3-7,9-10H,8H2,(H,20,21)

HIDE SMILES / InChI

Molecular Formula C18H11ClN4OS
Molecular Weight 366.824
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:40:07 GMT 2023
Edited
by admin
on Sat Dec 16 08:40:07 GMT 2023
Record UNII
RWS6U82B77
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(4-CHLOROPHENYL)-9-(2-PROPYN-1-YLAMINO)PYRIDO(3',2':4,5)THIENO(3,2-D)PYRIMIDIN-4(3H)-ONE
Systematic Name English
PYRIDO(3',2':4,5)THIENO(3,2-D)PYRIMIDIN-4(3H)-ONE, 3-(4-CHLOROPHENYL)-9-(2-PROPYN-1-YLAMINO)-
Systematic Name English
PYRIDO(3',2':4,5)THIENO(3,2-D)PYRIMIDIN-4(3H)-ONE, 3-(4-CHLOROPHENYL)-9-(2-PROPYNYLAMINO)-
Systematic Name English
Code System Code Type Description
CAS
902747-93-7
Created by admin on Sat Dec 16 08:40:07 GMT 2023 , Edited by admin on Sat Dec 16 08:40:07 GMT 2023
PRIMARY
FDA UNII
RWS6U82B77
Created by admin on Sat Dec 16 08:40:07 GMT 2023 , Edited by admin on Sat Dec 16 08:40:07 GMT 2023
PRIMARY
PUBCHEM
23634171
Created by admin on Sat Dec 16 08:40:07 GMT 2023 , Edited by admin on Sat Dec 16 08:40:07 GMT 2023
PRIMARY