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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C25H25N5OS MolecularWeight: 443.5639

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NC2=CC=CC=C2S1)(C3=CC=CC=C3)C(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC(CC1=NC2=CC=CC=C2S1)(C3=CC=CC=C3)C(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C25H25N5OS/c1-25(19-8-3-2-4-9-19,18-22-28-20-10-5-6-11-21(20)32-22)23(31)29-14-16-30(17-15-29)24-26-12-7-13-27-24/h2-13H,14-18H2,1H3