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Details

Stereochemistry RACEMIC
Molecular Formula C9H13N5O4
Molecular Weight 255.2306
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-AMINO-7,8-DIHYDRO-6-((1R,2S)-1,2,3-TRIHYDROXYPROPYL)-4(3H)-PTERIDINONE, REL-

SMILES

NC1=NC(=O)C2=C(N1)N=C(CN2)[C@H](O)[C@H](O)CO

InChI

InChIKey=AWXJKYFUMOXWCO-XINAWCOVSA-N
InChI=1S/C9H13N5O4/c10-9-13-7-5(8(18)14-9)11-1-3(12-7)6(17)4(16)2-15/h4,6,11,15-17H,1-2H2,(H3,10,13,14,18)/t4-,6+/m1/s1

HIDE SMILES / InChI

Molecular Formula C9H13N5O4
Molecular Weight 255.2306
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 13:46:09 GMT 2025
Edited
by admin
on Wed Apr 02 13:46:09 GMT 2025
Record UNII
2QZF69EBZ9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2,3-PROPANETRIOL, 1-(2-AMINO-7,8-DIHYDRO-4-HYDROXY-6-PTERIDINYL)-, ERYTHRO-
Preferred Name English
2-AMINO-7,8-DIHYDRO-6-((1R,2S)-1,2,3-TRIHYDROXYPROPYL)-4(3H)-PTERIDINONE, REL-
Systematic Name English
4(3H)-PTERIDINONE, 2-AMINO-7,8-DIHYDRO-6-((1R,2S)-1,2,3-TRIHYDROXYPROPYL)-, REL-
Systematic Name English
REL-2-AMINO-7,8-DIHYDRO-6-((1R,2S)-1,2,3-TRIHYDROXYPROPYL)-4(3H)-PTERIDINONE
Systematic Name English
Code System Code Type Description
CAS
32190-69-5
Created by admin on Wed Apr 02 13:46:09 GMT 2025 , Edited by admin on Wed Apr 02 13:46:09 GMT 2025
PRIMARY
FDA UNII
2QZF69EBZ9
Created by admin on Wed Apr 02 13:46:09 GMT 2025 , Edited by admin on Wed Apr 02 13:46:09 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE