6-(5-bromanyl-2-fluoranyl-phenyl)-3-(4-methoxyphenyl)-N,N,4-trimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide

Systemtic Name: 6-(5-bromanyl-2-fluoranyl-phenyl)-3-(4-methoxyphenyl)-N,N,4-trimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Openeye Name: 6-(5-bromo-2-fluoro-phenyl)-3-(4-methoxyphenyl)-N,N,4-trimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxamide CAS Name: 6-(5-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)-N,N,4-trimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide IUPAC Name: 6-(5-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)-N,N,4-trimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Traditional Name: 6-(5-bromo-2-fluoro-phenyl)-3-(4-methoxyphenyl)-N,N,4-trimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxamide Formula: C21H21BrFN3O2S MolecularWeight: 478.377743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC=C(C=C2)OC)C3=C(C=CC(=C3)Br)F)C(=O)N(C)C

Isomeric SMILES

CC1=C(C(NC(=S)N1C2=CC=C(C=C2)OC)C3=C(C=CC(=C3)Br)F)C(=O)N(C)C

InChI

InChI=1S/C21H21BrFN3O2S/c1-12-18(20(27)25(2)3)19(16-11-13(22)5-10-17(16)23)24-21(29)26(12)14-6-8-15(28-4)9-7-14/h5-11,19H,1-4H3,(H,24,29)