2-(1,3-benzothiazol-2-yl)-2-[4-(4-ethanoylpiperazin-1-yl)phenoxy]-2-pyrimidin-4-yl-ethanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[4-(4-ethanoylpiperazin-1-yl)phenoxy]-2-pyrimidin-4-yl-ethanenitrile Openeye Name: 2-[4-(4-acetylpiperazin-1-yl)phenoxy]-2-(1,3-benzothiazol-2-yl)-2-pyrimidin-4-yl-acetonitrile CAS Name: 2-[4-(4-acetyl-1-piperazinyl)phenoxy]-2-(1,3-benzothiazol-2-yl)-2-(4-pyrimidinyl)acetonitrile IUPAC Name: 2-[4-(4-acetylpiperazin-1-yl)phenoxy]-2-(1,3-benzothiazol-2-yl)-2-pyrimidin-4-ylacetonitrile Traditional Name: 2-[4-(4-acetylpiperazino)phenoxy]-2-(1,3-benzothiazol-2-yl)-2-(4-pyrimidyl)acetonitrile Formula: C25H22N6O2S MolecularWeight: 470.54618

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC(C#N)(C3=NC=NC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC(C#N)(C3=NC=NC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H22N6O2S/c1-18(32)30-12-14-31(15-13-30)19-6-8-20(9-7-19)33-25(16-26,23-10-11-27-17-28-23)24-29-21-4-2-3-5-22(21)34-24/h2-11,17H,12-15H2,1H3