6-(2-chloranyl-6-fluoranyl-phenyl)-3-cyclopropyl-N-(2-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide

Systemtic Name: 6-(2-chloranyl-6-fluoranyl-phenyl)-3-cyclopropyl-N-(2-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Openeye Name: 6-(2-chloro-6-fluoro-phenyl)-3-cyclopropyl-N-(2-methoxyphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxamide CAS Name: 6-(2-chloro-6-fluorophenyl)-3-cyclopropyl-N-(2-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide IUPAC Name: 6-(2-chloro-6-fluorophenyl)-3-cyclopropyl-N-(2-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Traditional Name: 6-(2-chloro-6-fluoro-phenyl)-3-cyclopropyl-N-(2-methoxyphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxamide Formula: C22H21ClFN3O2S MolecularWeight: 445.937443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2CC2)C3=C(C=CC=C3Cl)F)C(=O)NC4=CC=CC=C4OC

Isomeric SMILES

CC1=C(C(NC(=S)N1C2CC2)C3=C(C=CC=C3Cl)F)C(=O)NC4=CC=CC=C4OC

InChI

InChI=1S/C22H21ClFN3O2S/c1-12-18(21(28)25-16-8-3-4-9-17(16)29-2)20(19-14(23)6-5-7-15(19)24)26-22(30)27(12)13-10-11-13/h3-9,13,20H,10-11H2,1-2H3,(H,25,28)(H,26,30)