2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]pyrimidin-4-olate

Systemtic Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]pyrimidin-4-olate Openeye Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 2-[(3-methoxyphenyl)methylthio]-6-[2-[2-(methylthio)anilino]-2-oxoethyl]-4-pyrimidinolate IUPAC Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-(2-methylsulfanylanilino)-2-oxoethyl]pyrimidin-4-olate Traditional Name: 6-[2-keto-2-[2-(methylthio)anilino]ethyl]-2-(m-anisylthio)pyrimidin-4-olate Formula: C21H20N3O3S2- MolecularWeight: 426.5318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NC3=CC=CC=C3SC

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C21H21N3O3S2/c1-27-16-7-5-6-14(10-16)13-29-21-22-15(12-20(26)24-21)11-19(25)23-17-8-3-4-9-18(17)28-2/h3-10,12H,11,13H2,1-2H3,(H,23,25)(H,22,24,26)/p-1