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Details

Stereochemistry ACHIRAL
Molecular Formula C9H13N5O4
Molecular Weight 255.2306
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-AMINO-7-((2-HYDROXY-1-(HYDROXYMETHYL)ETHOXY)METHYL)1,7-DIHYDRO-6H-PURIN-6-ONE

SMILES

NC1=NC2=C(N(COC(CO)CO)C=N2)C(=O)N1

InChI

InChIKey=NSYYAKAGSCRHJK-UHFFFAOYSA-N
InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)14(3-11-7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)

HIDE SMILES / InChI

Molecular Formula C9H13N5O4
Molecular Weight 255.2306
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
6R4O2418X1
Record Status Validated (UNII)
Record Version