4-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]-6-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]-6-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]-6-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]ethylthio]-6-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]-6-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]ethylthio]-6-(methylthio)pyrimidine-5-carbonitrile Formula: C21H22N6O2S2 MolecularWeight: 454.56838

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=NC=N1)SCCN2CCN(CC2)C3=C4C(=C(C=C3)C#N)OCCO4)C#N

Isomeric SMILES

CSC1=C(C(=NC=N1)SCCN2CCN(CC2)C3=C4C(=C(C=C3)C#N)OCCO4)C#N

InChI

InChI=1S/C21H22N6O2S2/c1-30-20-16(13-23)21(25-14-24-20)31-11-8-26-4-6-27(7-5-26)17-3-2-15(12-22)18-19(17)29-10-9-28-18/h2-3,14H,4-11H2,1H3