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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]pyrimidin-4-olate Openeye Name: 6-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]-2-[(3-chlorophenyl)methylsulfanyl]pyrimidin-4-olate CAS Name: 6-[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]-2-[(3-chlorophenyl)methylthio]-4-pyrimidinolate IUPAC Name: 6-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2-[(3-chlorophenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-[2-(4-acetylpiperazino)-2-keto-ethyl]-2-[(3-chlorobenzyl)thio]pyrimidin-4-olate Formula: C19H20ClN4O3S- MolecularWeight: 419.9051

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CC2=CC(=NC(=N2)SCC3=CC(=CC=C3)Cl)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CC2=CC(=NC(=N2)SCC3=CC(=CC=C3)Cl)[O-]

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)/p-1