1-[4-(4-methylpiperazin-1-yl)-6-methylsulfanyl-2-phenyl-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[4-(4-methylpiperazin-1-yl)-6-methylsulfanyl-2-phenyl-pyrimidin-5-yl]ethanone Openeye Name: 1-[4-(4-methylpiperazin-1-yl)-6-methylsulfanyl-2-phenyl-pyrimidin-5-yl]ethanone CAS Name: 1-[4-(4-methyl-1-piperazinyl)-6-(methylthio)-2-phenyl-5-pyrimidinyl]ethanone IUPAC Name: 1-[4-(4-methylpiperazin-1-yl)-6-methylsulfanyl-2-phenylpyrimidin-5-yl]ethanone Traditional Name: 1-[4-(4-methylpiperazino)-6-(methylthio)-2-phenyl-pyrimidin-5-yl]ethanone Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N=C(N=C1SC)C2=CC=CC=C2)N3CCN(CC3)C

Isomeric SMILES

CC(=O)C1=C(N=C(N=C1SC)C2=CC=CC=C2)N3CCN(CC3)C

InChI

InChI=1S/C18H22N4OS/c1-13(23)15-17(22-11-9-21(2)10-12-22)19-16(20-18(15)24-3)14-7-5-4-6-8-14/h4-8H,9-12H2,1-3H3