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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(4-methyl-1-piperazinyl)-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(4-methylpiperazino)pyrimidin-4-yl]acetonitrile Formula: C18H18N6S MolecularWeight: 350.44072

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=CC(=N2)C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1CCN(CC1)C2=NC=CC(=N2)C(C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H18N6S/c1-23-8-10-24(11-9-23)18-20-7-6-14(22-18)13(12-19)17-21-15-4-2-3-5-16(15)25-17/h2-7,13H,8-11H2,1H3