5-[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-8-carbonitrile

Systemtic Name: 5-[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-8-carbonitrile Openeye Name: 5-[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-8-carbonitrile CAS Name: 5-[4-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethyl]-1-piperazinyl]-2,3-dihydro-1,4-benzodioxin-8-carbonitrile IUPAC Name: 5-[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-8-carbonitrile Traditional Name: 5-[4-[2-[(4,6-dimethylpyrimidin-2-yl)thio]ethyl]piperazino]-2,3-dihydro-1,4-benzodioxin-8-carbonitrile Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCN2CCN(CC2)C3=C4C(=C(C=C3)C#N)OCCO4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCCN2CCN(CC2)C3=C4C(=C(C=C3)C#N)OCCO4)C

InChI

InChI=1S/C21H25N5O2S/c1-15-13-16(2)24-21(23-15)29-12-9-25-5-7-26(8-6-25)18-4-3-17(14-22)19-20(18)28-11-10-27-19/h3-4,13H,5-12H2,1-2H3