3-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[2-methyl-4-(2-thienyl)thiazol-5-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-(2-methyl-4-thiophen-2-yl-5-thiazolyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[2-methyl-4-(2-thienyl)thiazol-5-yl]-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C19H21N5OS2 MolecularWeight: 399.53294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(S1)CCC(=O)N2CCN(CC2)C3=NC=CC=N3)C4=CC=CS4

Isomeric SMILES

CC1=NC(=C(S1)CCC(=O)N2CCN(CC2)C3=NC=CC=N3)C4=CC=CS4

InChI

InChI=1S/C19H21N5OS2/c1-14-22-18(15-4-2-13-26-15)16(27-14)5-6-17(25)23-9-11-24(12-10-23)19-20-7-3-8-21-19/h2-4,7-8,13H,5-6,9-12H2,1H3