2-[(3-chlorophenyl)methylsulfanyl]-5-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-5-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]-6-methyl-pyrimidin-4-olate Openeye Name: 5-[2-(3-acetylanilino)-2-oxo-ethyl]-2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 5-[2-(3-acetylanilino)-2-oxoethyl]-2-[(3-chlorophenyl)methylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 5-[2-(3-acetylanilino)-2-oxoethyl]-2-[(3-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 5-[2-(3-acetylanilino)-2-keto-ethyl]-2-[(3-chlorobenzyl)thio]-6-methyl-pyrimidin-4-olate Formula: C22H19ClN3O3S- MolecularWeight: 440.92256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC(=CC=C2)Cl)[O-])CC(=O)NC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC(=CC=C2)Cl)[O-])CC(=O)NC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C22H20ClN3O3S/c1-13-19(11-20(28)25-18-8-4-6-16(10-18)14(2)27)21(29)26-22(24-13)30-12-15-5-3-7-17(23)9-15/h3-10H,11-12H2,1-2H3,(H,25,28)(H,24,26,29)/p-1