2-[2-(diphenylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5-(phenylmethyl)pyrimidin-4-olate

Systemtic Name: 2-[2-(diphenylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-6-methyl-2-[2-oxo-2-(N-phenylanilino)ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-methyl-2-[[2-oxo-2-(N-phenylanilino)ethyl]thio]-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-6-methyl-2-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylpyrimidin-4-olate Traditional Name: 5-benzyl-2-[[2-keto-2-(N-phenylanilino)ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C26H22N3O2S- MolecularWeight: 440.53678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)[O-])CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C26H23N3O2S/c1-19-23(17-20-11-5-2-6-12-20)25(31)28-26(27-19)32-18-24(30)29(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16H,17-18H2,1H3,(H,27,28,31)/p-1