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Details

Stereochemistry RACEMIC
Molecular Formula C15H14N4O4
Molecular Weight 314.2961
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[2-(2-Amino-4,5,6,7-tetrahydro-4,6-dioxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid

SMILES

NC1=NC(=O)C2=C(NC(=O)C2CCC3=CC=C(C=C3)C(O)=O)N1

InChI

InChIKey=XDCYFUHVBXQODS-UHFFFAOYSA-N
InChI=1S/C15H14N4O4/c16-15-18-11-10(13(21)19-15)9(12(20)17-11)6-3-7-1-4-8(5-2-7)14(22)23/h1-2,4-5,9H,3,6H2,(H,22,23)(H4,16,17,18,19,20,21)

HIDE SMILES / InChI

Approval Year

Name Type Language
4-[2-(2-Amino-4,5,6,7-tetrahydro-4,6-dioxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid
Systematic Name English
Benzoic acid, 4-[2-(2-amino-4,5,6,7-tetrahydro-4,6-dioxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]-
Preferred Name English
Benzoic acid, 4-[2-(2-amino-4,5,6,7-tetrahydro-4,6-dioxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]-
Systematic Name English
Code System Code Type Description
FDA UNII
NZ5ZQT2U6B
Created by admin on Wed Apr 02 18:54:59 GMT 2025 , Edited by admin on Wed Apr 02 18:54:59 GMT 2025
PRIMARY
CAS
193265-47-3
Created by admin on Wed Apr 02 18:54:59 GMT 2025 , Edited by admin on Wed Apr 02 18:54:59 GMT 2025
PRIMARY
PUBCHEM
136818762
Created by admin on Wed Apr 02 18:54:59 GMT 2025 , Edited by admin on Wed Apr 02 18:54:59 GMT 2025
PRIMARY