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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(2-pyridyl)ethylamino]pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(2-pyridinyl)ethylamino]-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(2-pyridyl)ethylamino]pyrimidin-4-yl]acetonitrile Formula: C20H16N6S MolecularWeight: 372.44624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CC=CC=N4

InChI

InChI=1S/C20H16N6S/c21-13-15(19-25-17-6-1-2-7-18(17)27-19)16-9-12-24-20(26-16)23-11-8-14-5-3-4-10-22-14/h1-7,9-10,12,15H,8,11H2,(H,23,24,26)