2-(1,3-benzoxazol-2-yl)-2-[2-(4-ethylpiperazin-1-yl)-6-methyl-pyrimidin-4-yl]ethanenitrile

Systemtic Name: 2-(1,3-benzoxazol-2-yl)-2-[2-(4-ethylpiperazin-1-yl)-6-methyl-pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzoxazol-2-yl)-2-[2-(4-ethylpiperazin-1-yl)-6-methyl-pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzoxazol-2-yl)-2-[2-(4-ethyl-1-piperazinyl)-6-methyl-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzoxazol-2-yl)-2-[2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzoxazol-2-yl)-2-[2-(4-ethylpiperazino)-6-methyl-pyrimidin-4-yl]acetonitrile Formula: C20H22N6O MolecularWeight: 362.42828

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC(=N2)C(C#N)C3=NC4=CC=CC=C4O3)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC(=N2)C(C#N)C3=NC4=CC=CC=C4O3)C

InChI

InChI=1S/C20H22N6O/c1-3-25-8-10-26(11-9-25)20-22-14(2)12-17(24-20)15(13-21)19-23-16-6-4-5-7-18(16)27-19/h4-7,12,15H,3,8-11H2,1-2H3