2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-5-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-1H-pyrimidin-4-one

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-5-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-1H-pyrimidin-4-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-5-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-1H-pyrimidin-4-one CAS Name: 2-[(3-chlorophenyl)methylthio]-6-methyl-5-[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-5-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-1H-pyrimidin-4-one Traditional Name: 2-[(3-chlorobenzyl)thio]-5-[2-keto-2-(4-mesylpiperazino)ethyl]-6-methyl-1H-pyrimidin-4-one Formula: C19H23ClN4O4S2 MolecularWeight: 470.99332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN4O4S2/c1-13-16(11-17(25)23-6-8-24(9-7-23)30(2,27)28)18(26)22-19(21-13)29-12-14-4-3-5-15(20)10-14/h3-5,10H,6-9,11-12H2,1-2H3,(H,21,22,26)