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

Details

Stereochemistry ABSOLUTE
Molecular Formula C7H9N3O2
Molecular Weight 167.1653
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SPINACINE

SMILES

OC(=O)[C@@H]1CC2=C(CN1)NC=N2

InChI

InChIKey=YCFJXOFFQLPCHD-YFKPBYRVSA-N
InChI=1S/C7H9N3O2/c11-7(12)5-1-4-6(2-8-5)10-3-9-4/h3,5,8H,1-2H2,(H,9,10)(H,11,12)/t5-/m0/s1

HIDE SMILES / InChI

Approval Year