2-(1-ethylbenzimidazol-2-yl)-2-[6-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]ethanenitrile

Systemtic Name: 2-(1-ethylbenzimidazol-2-yl)-2-[6-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1-ethylbenzimidazol-2-yl)-2-[6-[2-(3-pyridyl)ethylamino]pyrimidin-4-yl]acetonitrile CAS Name: 2-(1-ethyl-2-benzimidazolyl)-2-[6-[2-(3-pyridinyl)ethylamino]-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1-ethylbenzimidazol-2-yl)-2-[6-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1-ethylbenzimidazol-2-yl)-2-[6-[2-(3-pyridyl)ethylamino]pyrimidin-4-yl]acetonitrile Formula: C22H21N7 MolecularWeight: 383.44904

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1C(C#N)C3=CC(=NC=N3)NCCC4=CN=CC=C4

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1C(C#N)C3=CC(=NC=N3)NCCC4=CN=CC=C4

InChI

InChI=1S/C22H21N7/c1-2-29-20-8-4-3-7-18(20)28-22(29)17(13-23)19-12-21(27-15-26-19)25-11-9-16-6-5-10-24-14-16/h3-8,10,12,14-15,17H,2,9,11H2,1H3,(H,25,26,27)