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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H12ClN5O3
Molecular Weight 273.676
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Amino-9-[[(1S)-2-chloro-1-(hydroxymethyl)ethoxy]methyl]-1,9-dihydro-6H-purin-6-one

SMILES

NC1=NC(=O)C2=C(N1)N(CO[C@@H](CO)CCl)C=N2

InChI

InChIKey=FQZPLTGJIGCMPY-RXMQYKEDSA-N
InChI=1S/C9H12ClN5O3/c10-1-5(2-16)18-4-15-3-12-6-7(15)13-9(11)14-8(6)17/h3,5,16H,1-2,4H2,(H3,11,13,14,17)/t5-/m1/s1

HIDE SMILES / InChI

Molecular Formula C9H12ClN5O3
Molecular Weight 273.676
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:47:12 GMT 2025
Edited
by admin
on Wed Apr 02 19:47:12 GMT 2025
Record UNII
F36RS5P348
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6H-Purin-6-one, 2-amino-9-[[(1S)-2-chloro-1-(hydroxymethyl)ethoxy]methyl]-1,9-dihydro-
Preferred Name English
2-Amino-9-[[(1S)-2-chloro-1-(hydroxymethyl)ethoxy]methyl]-1,9-dihydro-6H-purin-6-one
Systematic Name English
6H-Purin-6-one, 2-amino-9-[[(S)-2-chloro-1-(hydroxymethyl)ethoxy]methyl]-1,9-dihydro-
Systematic Name English
Code System Code Type Description
CAS
847649-80-3
Created by admin on Wed Apr 02 19:47:12 GMT 2025 , Edited by admin on Wed Apr 02 19:47:12 GMT 2025
PRIMARY
FDA UNII
F36RS5P348
Created by admin on Wed Apr 02 19:47:12 GMT 2025 , Edited by admin on Wed Apr 02 19:47:12 GMT 2025
PRIMARY