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

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[2-(3,4-dimethoxyphenyl)-4-thiazolyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)N3CCN(CC3)C4=NC=CC=N4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)N3CCN(CC3)C4=NC=CC=N4)OC

InChI

InChI=1S/C21H23N5O3S/c1-28-17-5-4-15(12-18(17)29-2)20-24-16(14-30-20)13-19(27)25-8-10-26(11-9-25)21-22-6-3-7-23-21/h3-7,12,14H,8-11,13H2,1-2H3