2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[2-[(4-methylphenoxy)methyl]thiazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[2-[(4-methylphenoxy)methyl]-4-thiazolyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[2-[(4-methylphenoxy)methyl]thiazol-4-yl]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NC(=CS2)CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NC(=CS2)CC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H23N5O2S/c1-16-3-5-18(6-4-16)28-14-19-24-17(15-29-19)13-20(27)25-9-11-26(12-10-25)21-22-7-2-8-23-21/h2-8,15H,9-14H2,1H3