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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(methylamino)pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(methylamino)pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(methylamino)-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(methylamino)pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(methylamino)pyrimidin-4-yl]acetonitrile Formula: C14H11N5S MolecularWeight: 281.33564

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=CC(=N1)C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CNC1=NC=CC(=N1)C(C#N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C14H11N5S/c1-16-14-17-7-6-10(19-14)9(8-15)13-18-11-4-2-3-5-12(11)20-13/h2-7,9H,1H3,(H,16,17,19)