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Details

Stereochemistry ACHIRAL
Molecular Formula C19H14N4O2S
Molecular Weight 362.405
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(4-METHOXYPHENYL)-13-((PROP-2-YN-1-YL)AMINO)-8-THIA-3,5,10-TRIAZATRICYCLO(7.4.0.0^(2,7))TRIDECA-1(13),2(7),3,9,11-PENTAEN-6-ONE

SMILES

COC1=CC=C(C=C1)N2C=NC3=C(SC4=NC=CC(NCC#C)=C34)C2=O

InChI

InChIKey=WIAAIYJUCDAKFY-UHFFFAOYSA-N
InChI=1S/C19H14N4O2S/c1-3-9-20-14-8-10-21-18-15(14)16-17(26-18)19(24)23(11-22-16)12-4-6-13(25-2)7-5-12/h1,4-8,10-11H,9H2,2H3,(H,20,21)

HIDE SMILES / InChI

Molecular Formula C19H14N4O2S
Molecular Weight 362.405
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Tricyclic thienopyridine-pyrimidones/thienopyrimidine-pyrimidones as orally efficacious mGluR1 antagonists for neuropathic pain.
2009 Jun 15
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:04:08 GMT 2023
Edited
by admin
on Sat Dec 16 08:04:08 GMT 2023
Record UNII
3S4N4U44G8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-(4-METHOXYPHENYL)-13-((PROP-2-YN-1-YL)AMINO)-8-THIA-3,5,10-TRIAZATRICYCLO(7.4.0.0^(2,7))TRIDECA-1(13),2(7),3,9,11-PENTAEN-6-ONE
Systematic Name English
PYRIDO(3',2':4,5)THIENO(3,2-D)PYRIMIDIN-4(3H)-ONE, 3-(4-METHOXYPHENYL)-9-(2-PROPYNYLAMINO)-
Systematic Name English
Code System Code Type Description
CAS
902747-98-2
Created by admin on Sat Dec 16 08:04:08 GMT 2023 , Edited by admin on Sat Dec 16 08:04:08 GMT 2023
PRIMARY
FDA UNII
3S4N4U44G8
Created by admin on Sat Dec 16 08:04:08 GMT 2023 , Edited by admin on Sat Dec 16 08:04:08 GMT 2023
PRIMARY
PUBCHEM
23634102
Created by admin on Sat Dec 16 08:04:08 GMT 2023 , Edited by admin on Sat Dec 16 08:04:08 GMT 2023
PRIMARY