5-ethyl-3-(4-methylphenyl)-2-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 5-ethyl-3-(4-methylphenyl)-2-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 5-ethyl-2-[2-(2-methylanilino)-2-oxo-ethyl]sulfanyl-6-oxo-3-(p-tolyl)pyrimidin-4-olate CAS Name: 5-ethyl-2-[[2-(2-methylanilino)-2-oxoethyl]thio]-3-(4-methylphenyl)-6-oxo-4-pyrimidinolate IUPAC Name: 5-ethyl-2-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)-6-oxopyrimidin-4-olate Traditional Name: 5-ethyl-6-keto-2-[[2-keto-2-(o-toluidino)ethyl]thio]-3-(p-tolyl)pyrimidin-4-olate Formula: C22H22N3O3S- MolecularWeight: 408.49338

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=NC1=O)SCC(=O)NC2=CC=CC=C2C)C3=CC=C(C=C3)C)[O-]

Isomeric SMILES

CCC1=C(N(C(=NC1=O)SCC(=O)NC2=CC=CC=C2C)C3=CC=C(C=C3)C)[O-]

InChI

InChI=1S/C22H23N3O3S/c1-4-17-20(27)24-22(25(21(17)28)16-11-9-14(2)10-12-16)29-13-19(26)23-18-8-6-5-7-15(18)3/h5-12,28H,4,13H2,1-3H3,(H,23,26)/p-1