2-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-6-oxidanylidene-3-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-6-oxidanylidene-3-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-(2,6-dimethylanilino)-2-oxo-ethyl]sulfanyl-5-ethyl-6-oxo-3-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]thio]-5-ethyl-6-oxo-3-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-5-ethyl-6-oxo-3-phenylpyrimidin-4-olate Traditional Name: 2-[[2-(2,6-dimethylanilino)-2-keto-ethyl]thio]-5-ethyl-6-keto-3-phenyl-pyrimidin-4-olate Formula: C22H22N3O3S- MolecularWeight: 408.49338

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=NC1=O)SCC(=O)NC2=C(C=CC=C2C)C)C3=CC=CC=C3)[O-]

Isomeric SMILES

CCC1=C(N(C(=NC1=O)SCC(=O)NC2=C(C=CC=C2C)C)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C22H23N3O3S/c1-4-17-20(27)24-22(25(21(17)28)16-11-6-5-7-12-16)29-13-18(26)23-19-14(2)9-8-10-15(19)3/h5-12,28H,4,13H2,1-3H3,(H,23,26)/p-1