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

Systemtic Name: 6-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 6-[2-(3-acetylanilino)-2-oxo-ethyl]-2-benzylsulfanyl-pyrimidin-4-olate CAS Name: 6-[2-(3-acetylanilino)-2-oxoethyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 6-[2-(3-acetylanilino)-2-oxoethyl]-2-benzylsulfanylpyrimidin-4-olate Traditional Name: 6-[2-(3-acetylanilino)-2-keto-ethyl]-2-(benzylthio)pyrimidin-4-olate Formula: C21H18N3O3S- MolecularWeight: 392.45092

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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)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O3S/c1-14(25)16-8-5-9-17(10-16)22-19(26)11-18-12-20(27)24-21(23-18)28-13-15-6-3-2-4-7-15/h2-10,12H,11,13H2,1H3,(H,22,26)(H,23,24,27)/p-1