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

Systemtic Name: 3-(4-chlorophenyl)-2-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 3-(4-chlorophenyl)-2-[2-(2,6-dimethylanilino)-2-oxo-ethyl]sulfanyl-6-oxo-pyrimidin-4-olate CAS Name: 3-(4-chlorophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]thio]-6-oxo-4-pyrimidinolate IUPAC Name: 3-(4-chlorophenyl)-2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-6-oxopyrimidin-4-olate Traditional Name: 3-(4-chlorophenyl)-2-[[2-(2,6-dimethylanilino)-2-keto-ethyl]thio]-6-keto-pyrimidin-4-olate Formula: C20H17ClN3O3S- MolecularWeight: 414.88528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC(=O)C=C(N2C3=CC=C(C=C3)Cl)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC(=O)C=C(N2C3=CC=C(C=C3)Cl)[O-]

InChI

InChI=1S/C20H18ClN3O3S/c1-12-4-3-5-13(2)19(12)22-17(26)11-28-20-23-16(25)10-18(27)24(20)15-8-6-14(21)7-9-15/h3-10,27H,11H2,1-2H3,(H,22,26)/p-1