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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-5-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 5-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]-2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]-2-[(3-chlorophenyl)methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-[2-(4-acetylpiperazino)-2-keto-ethyl]-2-[(3-chlorobenzyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C20H23ClN4O3S MolecularWeight: 434.93962

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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)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN4O3S/c1-13-17(11-18(27)25-8-6-24(7-9-25)14(2)26)19(28)23-20(22-13)29-12-15-4-3-5-16(21)10-15/h3-5,10H,6-9,11-12H2,1-2H3,(H,22,23,28)