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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-1H-pyrimidin-4-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-1H-pyrimidin-4-one CAS Name: 2-[(3-chlorophenyl)methylthio]-6-[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-1H-pyrimidin-4-one Traditional Name: 2-[(3-chlorobenzyl)thio]-6-[2-keto-2-(4-mesylpiperazino)ethyl]-1H-pyrimidin-4-one Formula: C18H21ClN4O4S2 MolecularWeight: 456.96674

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)CC2=CC(=O)N=C(N2)SCC3=CC(=CC=C3)Cl

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)CC2=CC(=O)N=C(N2)SCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H21ClN4O4S2/c1-29(26,27)23-7-5-22(6-8-23)17(25)11-15-10-16(24)21-18(20-15)28-12-13-3-2-4-14(19)9-13/h2-4,9-10H,5-8,11-12H2,1H3,(H,20,21,24)