3-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C18H19N5OS MolecularWeight: 353.44136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H19N5OS/c24-17(7-6-16-21-14-4-1-2-5-15(14)25-16)22-10-12-23(13-11-22)18-19-8-3-9-20-18/h1-5,8-9H,6-7,10-13H2