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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(4-benzylpiperazino)pyrimidin-4-yl]acetonitrile Formula: C24H22N6S MolecularWeight: 426.53668

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC=CC(=N3)C(C#N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC=CC(=N3)C(C#N)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H22N6S/c25-16-19(23-27-21-8-4-5-9-22(21)31-23)20-10-11-26-24(28-20)30-14-12-29(13-15-30)17-18-6-2-1-3-7-18/h1-11,19H,12-15,17H2