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Details

Stereochemistry RACEMIC
Molecular Formula C18H14N4O3S
Molecular Weight 366.394
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-(3-METHOXY-4-(PHENYLSULFINYL)PHENYL)PYRAZOLO(1,5-A)-1,3,5-TRIAZIN-4(3H)-ONE

SMILES

COC1=C(C=CC(=C1)C2=C3N=CNC(=O)N3N=C2)[S+]([O-])C4=CC=CC=C4

InChI

InChIKey=VEJLWJSERUNEJY-UHFFFAOYSA-N
InChI=1S/C18H14N4O3S/c1-25-15-9-12(14-10-21-22-17(14)19-11-20-18(22)23)7-8-16(15)26(24)13-5-3-2-4-6-13/h2-11H,1H3,(H,19,20,23)

HIDE SMILES / InChI

Molecular Formula C18H14N4O3S
Molecular Weight 366.394
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Xanthine oxidase-catalyzed metabolism of 2-nitrofluorene, a carcinogenic air pollutant, in rat skin.
2003 Apr
Hydrogen peroxide-dependent declines in Bcl-2 induces apoptosis in hypoxic liver.
2003 Mar
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:35:28 GMT 2023
Edited
by admin
on Sat Dec 16 08:35:28 GMT 2023
Record UNII
BW2UI9E52F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-(3-METHOXY-4-(PHENYLSULFINYL)PHENYL)PYRAZOLO(1,5-A)-1,3,5-TRIAZIN-4(3H)-ONE
Systematic Name English
PYRAZOLO(1,5-A)-1,3,5-TRIAZIN-4(3H)-ONE, 8-(3-METHOXY-4-(PHENYLSULFINYL)PHENYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
BW2UI9E52F
Created by admin on Sat Dec 16 08:35:28 GMT 2023 , Edited by admin on Sat Dec 16 08:35:28 GMT 2023
PRIMARY
PUBCHEM
135413524
Created by admin on Sat Dec 16 08:35:28 GMT 2023 , Edited by admin on Sat Dec 16 08:35:28 GMT 2023
PRIMARY
CAS
117411-27-5
Created by admin on Sat Dec 16 08:35:28 GMT 2023 , Edited by admin on Sat Dec 16 08:35:28 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT