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

Systemtic Name: 2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-3-(4-methylphenyl)-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 2-[2-(4-chloroanilino)-2-oxo-ethyl]sulfanyl-5-ethyl-6-oxo-3-(p-tolyl)pyrimidin-4-olate CAS Name: 2-[[2-(4-chloroanilino)-2-oxoethyl]thio]-5-ethyl-3-(4-methylphenyl)-6-oxo-4-pyrimidinolate IUPAC Name: 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-5-ethyl-3-(4-methylphenyl)-6-oxopyrimidin-4-olate Traditional Name: 2-[[2-(4-chloroanilino)-2-keto-ethyl]thio]-5-ethyl-6-keto-3-(p-tolyl)pyrimidin-4-olate Formula: C21H19ClN3O3S- MolecularWeight: 428.91186

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=NC1=O)SCC(=O)NC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)C)[O-]

Isomeric SMILES

CCC1=C(N(C(=NC1=O)SCC(=O)NC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)C)[O-]

InChI

InChI=1S/C21H20ClN3O3S/c1-3-17-19(27)24-21(25(20(17)28)16-10-4-13(2)5-11-16)29-12-18(26)23-15-8-6-14(22)7-9-15/h4-11,28H,3,12H2,1-2H3,(H,23,26)/p-1