6-methyl-5-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-2-(1-phenylethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-5-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-2-(1-phenylethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 6-methyl-5-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-2-(1-phenylethylsulfanyl)-1H-pyrimidin-4-one CAS Name: 6-methyl-5-[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]-2-(1-phenylethylthio)-1H-pyrimidin-4-one IUPAC Name: 6-methyl-5-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-2-(1-phenylethylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 5-[2-keto-2-(4-mesylpiperazino)ethyl]-6-methyl-2-(1-phenylethylthio)-1H-pyrimidin-4-one Formula: C20H26N4O4S2 MolecularWeight: 450.57484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC(C)C2=CC=CC=C2)CC(=O)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC(C)C2=CC=CC=C2)CC(=O)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C20H26N4O4S2/c1-14-17(13-18(25)23-9-11-24(12-10-23)30(3,27)28)19(26)22-20(21-14)29-15(2)16-7-5-4-6-8-16/h4-8,15H,9-13H2,1-3H3,(H,21,22,26)