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

Systemtic Name: 2-[2-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(5-chloro-2,4-dimethoxy-anilino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(5-chloro-2,4-dimethoxy-anilino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C15H15ClN3O4S- MolecularWeight: 368.8153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC(=C(C=C2OC)OC)Cl)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC(=C(C=C2OC)OC)Cl)[O-]

InChI

InChI=1S/C15H16ClN3O4S/c1-8-4-13(20)19-15(17-8)24-7-14(21)18-10-5-9(16)11(22-2)6-12(10)23-3/h4-6H,7H2,1-3H3,(H,18,21)(H,17,19,20)/p-1