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

Systemtic Name: 2-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-(2,5-dimethoxyanilino)-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-(2,5-dimethoxyanilino)-2-keto-ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C20H18N3O4S- MolecularWeight: 396.43962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O4S/c1-26-14-8-9-17(27-2)16(10-14)21-19(25)12-28-20-22-15(11-18(24)23-20)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,21,25)(H,22,23,24)/p-1