2-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-3-(4-fluorophenyl)-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 2-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-3-(4-fluorophenyl)-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 2-[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]sulfanyl-5-ethyl-3-(4-fluorophenyl)-6-oxo-pyrimidin-4-olate CAS Name: 2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]thio]-5-ethyl-3-(4-fluorophenyl)-6-oxo-4-pyrimidinolate IUPAC Name: 2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-5-ethyl-3-(4-fluorophenyl)-6-oxopyrimidin-4-olate Traditional Name: 2-[[2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]thio]-5-ethyl-3-(4-fluorophenyl)-6-keto-pyrimidin-4-olate Formula: C21H18ClFN3O3S- MolecularWeight: 446.902323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClFN3O3S/c1-3-15-19(28)25-21(26(20(15)29)14-9-7-13(23)8-10-14)30-11-18(27)24-17-6-4-5-16(22)12(17)2/h4-10,29H,3,11H2,1-2H3,(H,24,27)/p-1