2-(1,3-benzothiazol-2-yl)-2-(2-piperazin-1-ylpyrimidin-4-yl)ethanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-(2-piperazin-1-ylpyrimidin-4-yl)ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-(2-piperazin-1-ylpyrimidin-4-yl)acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(1-piperazinyl)-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-(2-piperazin-1-ylpyrimidin-4-yl)acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-(2-piperazinopyrimidin-4-yl)acetonitrile Formula: C17H16N6S MolecularWeight: 336.41414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC=CC(=N2)C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN1)C2=NC=CC(=N2)C(C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H16N6S/c18-11-12(16-21-14-3-1-2-4-15(14)24-16)13-5-6-20-17(22-13)23-9-7-19-8-10-23/h1-6,12,19H,7-10H2