Chemical Component Summary

Name3-benzyl-8-chloro-2-hydroxy-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Identifiers8-chloranyl-2-oxidanyl-3-(phenylmethyl)pyrimido[2,1-b][1,3]benzothiazol-4-one
FormulaC17 H11 Cl N2 O2 S
Molecular Weight342.799
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)CC2=C(N=C3N(C2=O)c4ccc(cc4S3)Cl)O
InChIInChI=1S/C17H11ClN2O2S/c18-11-6-7-13-14(9-11)23-17-19-15(21)12(16(22)20(13)17)8-10-4-2-1-3-5-10/h1-7,9,21H,8H2
InChIKeyLTTZBQUWRGBLKU-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count0
Bond Count37
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 137349217
ChEMBL CHEMBL4207669