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

Systemtic Name: 5-[4-[2-(4-chloranyl-6-methyl-pyrimidin-2-yl)sulfanylethyl]piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-8-carbonitrile Openeye Name: 5-[4-[2-(4-chloro-6-methyl-pyrimidin-2-yl)sulfanylethyl]piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-8-carbonitrile CAS Name: 5-[4-[2-[(4-chloro-6-methyl-2-pyrimidinyl)thio]ethyl]-1-piperazinyl]-2,3-dihydro-1,4-benzodioxin-8-carbonitrile IUPAC Name: 5-[4-[2-(4-chloro-6-methylpyrimidin-2-yl)sulfanylethyl]piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-8-carbonitrile Traditional Name: 5-[4-[2-[(4-chloro-6-methyl-pyrimidin-2-yl)thio]ethyl]piperazino]-2,3-dihydro-1,4-benzodioxin-8-carbonitrile Formula: C20H22ClN5O2S MolecularWeight: 431.93898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN5O2S/c1-14-12-17(21)24-20(23-14)29-11-8-25-4-6-26(7-5-25)16-3-2-15(13-22)18-19(16)28-10-9-27-18/h2-3,12H,4-11H2,1H3