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

Systemtic Name: 2-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-(2,6-dimethylanilino)-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-(2,6-dimethylanilino)-2-keto-ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C20H18N3O2S- MolecularWeight: 364.44082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O2S/c1-13-7-6-8-14(2)19(13)22-18(25)12-26-20-21-16(11-17(24)23-20)15-9-4-3-5-10-15/h3-11H,12H2,1-2H3,(H,22,25)(H,21,23,24)/p-1