U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C11H14N4O5
Molecular Weight 282.2527
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-HYDROXYETHYL 2-(1,3-DIMETHYL-2,6-DIOXOPURIN-7-YL)ACETATE

SMILES

CN1C2=C(N(CC(=O)OCCO)C=N2)C(=O)N(C)C1=O

InChI

InChIKey=BSHFGYOWIYPMDN-UHFFFAOYSA-N
InChI=1S/C11H14N4O5/c1-13-9-8(10(18)14(2)11(13)19)15(6-12-9)5-7(17)20-4-3-16/h6,16H,3-5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C11H14N4O5
Molecular Weight 282.2527
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
WLS3PT4QNB
Record Status Validated (UNII)
Record Version