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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H11ClN4OS
Molecular Weight 306.771
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PNU-142721

SMILES

C[C@H](SC1=NC(Cl)=CC(N)=N1)C2=CC3=C(OC=C3)C=N2

InChI

InChIKey=ATCRIOJPQXDFNY-ZETCQYMHSA-N
InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m0/s1

HIDE SMILES / InChI

Approval Year

PubMed