(E)-3-phenylsulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-phenylsulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-phenylsulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(phenylthio)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-phenylsulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(phenylthio)-1-[4-(2-pyrimidyl)piperazino]prop-2-en-1-one Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C=CSC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)/C=C/SC3=CC=CC=C3

InChI

InChI=1S/C17H18N4OS/c22-16(7-14-23-15-5-2-1-3-6-15)20-10-12-21(13-11-20)17-18-8-4-9-19-17/h1-9,14H,10-13H2/b14-7+