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Details

Stereochemistry RACEMIC
Molecular Formula C12H15N5O3
Molecular Weight 277.2792
Optical Activity ( + / - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Amino-5-[[[(1R,4R,5S)-4,5-dihydroxy-2-cyclopenten-1-yl]amino]methyl]-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, rel-

SMILES

NC1=NC(=O)C2=C(NC=C2CN[C@@H]3C=C[C@@H](O)[C@H]3O)N1

InChI

InChIKey=WYROLENTHWJFLR-BHNWBGBOSA-N
InChI=1S/C12H15N5O3/c13-12-16-10-8(11(20)17-12)5(4-15-10)3-14-6-1-2-7(18)9(6)19/h1-2,4,6-7,9,14,18-19H,3H2,(H4,13,15,16,17,20)/t6-,7-,9+/m1/s1

HIDE SMILES / InChI

Molecular Formula C12H15N5O3
Molecular Weight 277.2792
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 16:43:20 GMT 2025
Edited
by admin
on Wed Apr 02 16:43:20 GMT 2025
Record UNII
BX3B23YH8E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4H-Pyrrolo[2,3-d]pyrimidin-4-one, 2-amino-5-[[(4,5-dihydroxy-2-cyclopenten-1-yl)amino]methyl]-1,7-dihydro-, (1?,4?,5?)-(±)-
Preferred Name English
2-Amino-5-[[[(1R,4R,5S)-4,5-dihydroxy-2-cyclopenten-1-yl]amino]methyl]-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, rel-
Systematic Name English
rel-2-Amino-5-[[[(1R,4R,5S)-4,5-dihydroxy-2-cyclopenten-1-yl]amino]methyl]-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Systematic Name English
4H-Pyrrolo[2,3-d]pyrimidin-4-one, 2-amino-5-[[[(1R,4R,5S)-4,5-dihydroxy-2-cyclopenten-1-yl]amino]methyl]-3,7-dihydro-, rel-
Systematic Name English
Code System Code Type Description
CAS
69565-92-0
Created by admin on Wed Apr 02 16:43:20 GMT 2025 , Edited by admin on Wed Apr 02 16:43:20 GMT 2025
PRIMARY
FDA UNII
BX3B23YH8E
Created by admin on Wed Apr 02 16:43:20 GMT 2025 , Edited by admin on Wed Apr 02 16:43:20 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE