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

Systemtic Name: 6-methyl-5-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-6-methyl-5-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-5-[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-6-methyl-5-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-5-[2-keto-2-(4-mesylpiperazino)ethyl]-6-methyl-1H-pyrimidin-4-one Formula: C19H24N4O4S2 MolecularWeight: 436.54826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC(=O)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC(=O)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C19H24N4O4S2/c1-14-16(12-17(24)22-8-10-23(11-9-22)29(2,26)27)18(25)21-19(20-14)28-13-15-6-4-3-5-7-15/h3-7H,8-13H2,1-2H3,(H,20,21,25)