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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[4-(2-pyrimidinyl)-1-piperazinyl]-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[4-(2-pyrimidyl)piperazino]pyrimidin-4-yl]acetonitrile Formula: C21H18N8S MolecularWeight: 414.48622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C3=NC=CC(=N3)C(C#N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C3=NC=CC(=N3)C(C#N)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H18N8S/c22-14-15(19-26-17-4-1-2-5-18(17)30-19)16-6-9-25-21(27-16)29-12-10-28(11-13-29)20-23-7-3-8-24-20/h1-9,15H,10-13H2