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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[4-(4-ethanoylpiperazin-1-yl)phenoxy]pyrimidin-4-yl]ethanenitrile Openeye Name: 2-[2-[4-(4-acetylpiperazin-1-yl)phenoxy]pyrimidin-4-yl]-2-(1,3-benzothiazol-2-yl)acetonitrile CAS Name: 2-[2-[4-(4-acetyl-1-piperazinyl)phenoxy]-4-pyrimidinyl]-2-(1,3-benzothiazol-2-yl)acetonitrile IUPAC Name: 2-[2-[4-(4-acetylpiperazin-1-yl)phenoxy]pyrimidin-4-yl]-2-(1,3-benzothiazol-2-yl)acetonitrile Traditional Name: 2-[2-[4-(4-acetylpiperazino)phenoxy]pyrimidin-4-yl]-2-(1,3-benzothiazol-2-yl)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)OC3=NC=CC(=N3)C(C#N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC3=NC=CC(=N3)C(C#N)C4=NC5=CC=CC=C5S4

InChI

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