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

Systemtic Name: 2-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-(4-methylphenyl)-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 2-[2-(2,6-dimethylanilino)-2-oxo-ethyl]sulfanyl-6-oxo-3-(p-tolyl)pyrimidin-4-olate CAS Name: 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]thio]-3-(4-methylphenyl)-6-oxo-4-pyrimidinolate IUPAC Name: 2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)-6-oxopyrimidin-4-olate Traditional Name: 2-[[2-(2,6-dimethylanilino)-2-keto-ethyl]thio]-6-keto-3-(p-tolyl)pyrimidin-4-olate Formula: C21H20N3O3S- MolecularWeight: 394.4668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=O)N=C2SCC(=O)NC3=C(C=CC=C3C)C)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=O)N=C2SCC(=O)NC3=C(C=CC=C3C)C)[O-]

InChI

InChI=1S/C21H21N3O3S/c1-13-7-9-16(10-8-13)24-19(27)11-17(25)23-21(24)28-12-18(26)22-20-14(2)5-4-6-15(20)3/h4-11,27H,12H2,1-3H3,(H,22,26)/p-1