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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]-1H-pyrimidin-4-one Openeye Name: 6-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]-2-[(3-chlorophenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]-2-[(3-chlorophenyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2-[(3-chlorophenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-[2-(4-acetylpiperazino)-2-keto-ethyl]-2-[(3-chlorobenzyl)thio]-1H-pyrimidin-4-one Formula: C19H21ClN4O3S MolecularWeight: 420.91304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN4O3S/c1-13(25)23-5-7-24(8-6-23)18(27)11-16-10-17(26)22-19(21-16)28-12-14-3-2-4-15(20)9-14/h2-4,9-10H,5-8,11-12H2,1H3,(H,21,22,26)