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Details

Stereochemistry ACHIRAL
Molecular Formula C9H11N5O2
Molecular Weight 221.2159
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(2-AZANYLIDENE-4-OXIDANYL-3,7-DIHYDRO-1H-PTERIDIN-6-YL)PROPAN-1-ONE

SMILES

CCC(=O)C1=NC2=C(O)NC(=N)NC2=NC1

InChI

InChIKey=MXQYRFPIGKAGPW-UHFFFAOYSA-N
InChI=1S/C9H11N5O2/c1-2-5(15)4-3-11-7-6(12-4)8(16)14-9(10)13-7/h2-3H2,1H3,(H4,10,11,13,14,16)

HIDE SMILES / InChI

Molecular Formula C9H11N5O2
Molecular Weight 221.2159
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 15:20:35 UTC 2023
Edited
by admin
on Sat Dec 16 15:20:35 UTC 2023
Record UNII
4J9QVM3AT9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(2-AZANYLIDENE-4-OXIDANYL-3,7-DIHYDRO-1H-PTERIDIN-6-YL)PROPAN-1-ONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID101317180
Created by admin on Sat Dec 16 15:20:36 UTC 2023 , Edited by admin on Sat Dec 16 15:20:36 UTC 2023
PRIMARY
FDA UNII
4J9QVM3AT9
Created by admin on Sat Dec 16 15:20:36 UTC 2023 , Edited by admin on Sat Dec 16 15:20:36 UTC 2023
PRIMARY
CAS
1797-87-1
Created by admin on Sat Dec 16 15:20:36 UTC 2023 , Edited by admin on Sat Dec 16 15:20:36 UTC 2023
PRIMARY
PUBCHEM
135703419
Created by admin on Sat Dec 16 15:20:36 UTC 2023 , Edited by admin on Sat Dec 16 15:20:36 UTC 2023
PRIMARY
Related Record Type Details
METABOLITE -> PARENT