[3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [3-(benzylsulfanylmethyl)benzofuran-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [3-[(phenylmethylthio)methyl]-2-benzofuranyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [3-(benzylsulfanylmethyl)-1-benzofuran-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [3-[(benzylthio)methyl]benzofuran-2-yl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(C4=CC=CC=C4O3)CSCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(C4=CC=CC=C4O3)CSCC5=CC=CC=C5

InChI

InChI=1S/C25H24N4O2S/c30-24(28-13-15-29(16-14-28)25-26-11-6-12-27-25)23-21(20-9-4-5-10-22(20)31-23)18-32-17-19-7-2-1-3-8-19/h1-12H,13-18H2