3-phenyl-1-[4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-1,3-thiazol-2-yl]piperidin-1-yl]prop-2-yn-1-one

Systemtic Name: 3-phenyl-1-[4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-1,3-thiazol-2-yl]piperidin-1-yl]prop-2-yn-1-one Openeye Name: 3-phenyl-1-[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiazol-2-yl]-1-piperidyl]prop-2-yn-1-one CAS Name: 1-[4-[4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-2-thiazolyl]-1-piperidinyl]-3-phenyl-2-propyn-1-one IUPAC Name: 3-phenyl-1-[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]prop-2-yn-1-one Traditional Name: 3-phenyl-1-[4-[4-[4-(2-pyrimidyl)piperazine-1-carbonyl]thiazol-2-yl]piperidino]prop-2-yn-1-one Formula: C26H26N6O2S MolecularWeight: 486.58864

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=CS2)C(=O)N3CCN(CC3)C4=NC=CC=N4)C(=O)C#CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=NC(=CS2)C(=O)N3CCN(CC3)C4=NC=CC=N4)C(=O)C#CC5=CC=CC=C5

InChI

InChI=1S/C26H26N6O2S/c33-23(8-7-20-5-2-1-3-6-20)30-13-9-21(10-14-30)24-29-22(19-35-24)25(34)31-15-17-32(18-16-31)26-27-11-4-12-28-26/h1-6,11-12,19,21H,9-10,13-18H2