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

Details

Stereochemistry ACHIRAL
Molecular Formula C4H4N2O
Molecular Weight 96.0874
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-PYRIMIDONE

SMILES

O=C1NC=CC=N1

InChI

InChIKey=VTGOHKSTWXHQJK-UHFFFAOYSA-N
InChI=1S/C4H4N2O/c7-4-5-2-1-3-6-4/h1-3H,(H,5,6,7)

HIDE SMILES / InChI

Molecular Formula C4H4N2O
Molecular Weight 96.0874
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
13K708ILY4
Record Status Validated (UNII)
Record Version