methyl 4-[2-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-[2-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylate Openeye Name: methyl 4-[2-(5-chloro-2,4-dimethoxy-anilino)-2-oxo-ethyl]sulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylate CAS Name: 4-[[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]thio]-2-cyclopropyl-6-methyl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-2-cyclopropyl-6-methylpyrimidine-5-carboxylate Traditional Name: 4-[[2-(5-chloro-2,4-dimethoxy-anilino)-2-keto-ethyl]thio]-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid methyl ester Formula: C20H22ClN3O5S MolecularWeight: 451.92378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NC3=CC(=C(C=C3OC)OC)Cl)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NC3=CC(=C(C=C3OC)OC)Cl)C(=O)OC

InChI

InChI=1S/C20H22ClN3O5S/c1-10-17(20(26)29-4)19(24-18(22-10)11-5-6-11)30-9-16(25)23-13-7-12(21)14(27-2)8-15(13)28-3/h7-8,11H,5-6,9H2,1-4H3,(H,23,25)