2-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-olate

Systemtic Name: 2-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-olate Openeye Name: 2-[2-(4-methoxyanilino)-2-oxo-ethyl]sulfanyl-6-(p-tolylsulfanylmethyl)pyrimidin-4-olate CAS Name: 2-[[2-(4-methoxyanilino)-2-oxoethyl]thio]-6-[[(4-methylphenyl)thio]methyl]-4-pyrimidinolate IUPAC Name: 2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-6-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(p-anisidino)ethyl]thio]-6-[(p-tolylthio)methyl]pyrimidin-4-olate Formula: C21H20N3O3S2- MolecularWeight: 426.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC(=NC(=N2)SCC(=O)NC3=CC=C(C=C3)OC)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC(=NC(=N2)SCC(=O)NC3=CC=C(C=C3)OC)[O-]

InChI

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