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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CN=C2)C3=NC=CC(=N3)C(C#N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN1C2=NC=CN=C2)C3=NC=CC(=N3)C(C#N)C4=NC5=CC=CC=C5S4

InChI

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