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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(4-pyridylmethylamino)pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(pyridin-4-ylmethylamino)-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(4-pyridylmethylamino)pyrimidin-4-yl]acetonitrile Formula: C19H14N6S MolecularWeight: 358.41966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCC4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCC4=CC=NC=C4

InChI

InChI=1S/C19H14N6S/c20-11-14(18-24-16-3-1-2-4-17(16)26-18)15-7-10-22-19(25-15)23-12-13-5-8-21-9-6-13/h1-10,14H,12H2,(H,22,23,25)