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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(3-pyridylmethylamino)pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(3-pyridinylmethylamino)-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(3-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=CN=CC=C4

Isomeric SMILES

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

InChI

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