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

Systemtic Name: 6-(4-methoxyphenyl)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 6-(4-methoxyphenyl)-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-(4-methoxyphenyl)-2-[[2-(4-methylanilino)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 6-(4-methoxyphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]-6-(4-methoxyphenyl)pyrimidin-4-olate Formula: C20H18N3O3S- MolecularWeight: 380.44022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S/c1-13-3-7-15(8-4-13)21-19(25)12-27-20-22-17(11-18(24)23-20)14-5-9-16(26-2)10-6-14/h3-11H,12H2,1-2H3,(H,21,25)(H,22,23,24)/p-1