2-(1,3-benzothiazol-2-yl)-2-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidin-4-yl]ethanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[4-(2-morpholinoethyl)piperazin-1-yl]pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[4-[2-(4-morpholinyl)ethyl]-1-piperazinyl]-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[4-(2-morpholinoethyl)piperazino]pyrimidin-4-yl]acetonitrile Formula: C23H27N7OS MolecularWeight: 449.57178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN2CCOCC2)C3=NC=CC(=N3)C(C#N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN1CCN2CCOCC2)C3=NC=CC(=N3)C(C#N)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H27N7OS/c24-17-18(22-26-20-3-1-2-4-21(20)32-22)19-5-6-25-23(27-19)30-11-9-28(10-12-30)7-8-29-13-15-31-16-14-29/h1-6,18H,7-16H2