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

Systemtic Name: 4-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]-6-methylsulfanyl-2-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]-6-methylsulfanyl-2-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]ethylthio]-6-(methylthio)-2-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]-6-methylsulfanyl-2-phenylpyrimidine-5-carbonitrile Traditional Name: 4-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]ethylthio]-6-(methylthio)-2-phenyl-pyrimidine-5-carbonitrile Formula: C26H27N5O2S2 MolecularWeight: 505.65488

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=NC(=N1)C2=CC=CC=C2)SCCN3CCN(CC3)C4=C5C(=CC=C4)OCCO5)C#N

Isomeric SMILES

CSC1=C(C(=NC(=N1)C2=CC=CC=C2)SCCN3CCN(CC3)C4=C5C(=CC=C4)OCCO5)C#N

InChI

InChI=1S/C26H27N5O2S2/c1-34-25-20(18-27)26(29-24(28-25)19-6-3-2-4-7-19)35-17-14-30-10-12-31(13-11-30)21-8-5-9-22-23(21)33-16-15-32-22/h2-9H,10-17H2,1H3