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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(1-pyrrolidinyl)-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-(2-pyrrolidinopyrimidin-4-yl)acetonitrile Formula: C17H15N5S MolecularWeight: 321.3995

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=CC(=N2)C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)C2=NC=CC(=N2)C(C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H15N5S/c18-11-12(16-20-14-5-1-2-6-15(14)23-16)13-7-8-19-17(21-13)22-9-3-4-10-22/h1-2,5-8,12H,3-4,9-10H2