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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H18N6O2
Molecular Weight 302.3317
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (1S,4R)-4-(2-AMINO-6-(CYCLOPROPYLAMINO)-7-OXIDO-9H-PURIN-9-YL)-2-CYCLOPENTENE-1-METHANOL

SMILES

NC1=NC(NC2CC2)=C3C(=N1)N(C=[N+]3[O-])[C@@H]4C[C@H](CO)C=C4

InChI

InChIKey=IPMLFHYLIHZKEE-SCZZXKLOSA-N
InChI=1S/C14H18N6O2/c15-14-17-12(16-9-2-3-9)11-13(18-14)19(7-20(11)22)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,16,17,18)/t8-,10+/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
(1S,4R)-4-(2-AMINO-6-(CYCLOPROPYLAMINO)-7-OXIDO-9H-PURIN-9-YL)-2-CYCLOPENTENE-1-METHANOL
Systematic Name English
2-CYCLOPENTENE-1-METHANOL, 4-(2-AMINO-6-(CYCLOPROPYLAMINO)-7-OXIDO-9H-PURIN-9-YL)-, (1S,4R)-
Preferred Name English
Code System Code Type Description
FDA UNII
AMK96VD45C
Created by admin on Wed Apr 02 11:22:53 GMT 2025 , Edited by admin on Wed Apr 02 11:22:53 GMT 2025
PRIMARY
CAS
1443421-70-2
Created by admin on Wed Apr 02 11:22:53 GMT 2025 , Edited by admin on Wed Apr 02 11:22:53 GMT 2025
PRIMARY
PUBCHEM
156596408
Created by admin on Wed Apr 02 11:22:53 GMT 2025 , Edited by admin on Wed Apr 02 11:22:53 GMT 2025
PRIMARY
NIH
NCATS
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