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

Systemtic Name: 6-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-[2-(3-acetylanilino)-2-oxo-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate CAS Name: 6-[2-(3-acetylanilino)-2-oxoethyl]-2-[(3-methoxyphenyl)methylthio]-4-pyrimidinolate IUPAC Name: 6-[2-(3-acetylanilino)-2-oxoethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-[2-(3-acetylanilino)-2-keto-ethyl]-2-(m-anisylthio)pyrimidin-4-olate Formula: C22H20N3O4S- MolecularWeight: 422.4769

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC(=CC=C3)OC)[O-]

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC(=CC=C3)OC)[O-]

InChI

InChI=1S/C22H21N3O4S/c1-14(26)16-6-4-7-17(10-16)23-20(27)11-18-12-21(28)25-22(24-18)30-13-15-5-3-8-19(9-15)29-2/h3-10,12H,11,13H2,1-2H3,(H,23,27)(H,24,25,28)/p-1