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Details

Stereochemistry ACHIRAL
Molecular Formula C12H17N5O3
Molecular Weight 279.2951
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3-PROPANEDIOL, 2-(2-(2-AMINO-9H-PURIN-9-YL)ETHYL)-, 1-ACETATE

SMILES

CC(=O)OCC(CO)CCN1C=NC2=C1N=C(N)N=C2

InChI

InChIKey=OUMGIMAEASXOJH-UHFFFAOYSA-N
InChI=1S/C12H17N5O3/c1-8(19)20-6-9(5-18)2-3-17-7-15-10-4-14-12(13)16-11(10)17/h4,7,9,18H,2-3,5-6H2,1H3,(H2,13,14,16)

HIDE SMILES / InChI

Molecular Formula C12H17N5O3
Molecular Weight 279.2951
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
NE5144EK4H
Record Status Validated (UNII)
Record Version